#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cob n GLY 888 N 0.00 0.00 3.80 3.14 0.00 -1.26 -4.38 105.19 106.49 3cob n GLY 888 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3cob n GLY 888 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cob s LYS 889 N 0.00 4.43 -0.04 1.61 2.20 -1.26 -1.22 119.74 125.46 3cob s LYS 889 Ca 0.00 1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 56.51 3cob s LYS 889 Cb 0.00 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 3cob s LYS 889 CO 0.00 0.20 1.53 0.42 -0.36 0.00 0.00 175.35 177.15 3cob s ILE 890 N -1.78 3.65 0.13 5.43 1.01 -0.68 -4.87 121.20 124.09 3cob s ILE 890 Ca 0.53 0.89 -0.25 0.00 0.00 0.00 0.00 60.65 61.82 3cob s ILE 890 Cb -0.15 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 3cob s ILE 890 CO 0.20 -0.05 0.77 -0.60 0.00 0.00 0.00 174.94 175.26 3cob s ARG 891 N 3.37 4.54 -0.08 2.79 6.06 -1.04 -4.43 118.95 130.17 3cob s ARG 891 Ca 0.68 1.13 0.01 0.00 -2.50 0.00 0.00 55.73 55.05 3cob s ARG 891 Cb -0.32 -3.29 0.02 0.00 0.06 0.00 0.00 34.95 31.42 3cob s ARG 891 CO 0.27 0.50 -0.07 0.08 -2.50 0.00 0.00 175.30 173.58 3cob s VAL 892 N -0.85 0.84 -0.05 7.11 1.01 -1.26 -0.34 120.40 126.85 3cob s VAL 892 Ca 0.36 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3cob s VAL 892 Cb -0.22 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3cob s VAL 892 CO 0.25 0.31 -0.11 -0.31 0.00 0.00 0.00 175.10 175.24 3cob s TYR 893 N 1.25 2.80 -0.16 5.22 2.02 0.52 -1.65 117.35 127.33 3cob s TYR 893 Ca -0.05 -0.09 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3cob s TYR 893 Cb -0.14 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3cob s TYR 893 CO -0.02 0.26 -0.06 0.00 -1.57 0.00 0.00 175.55 174.16 3cob s ARG 895 N 0.61 3.03 -0.12 0.00 3.52 -0.84 0.36 118.95 125.51 3cob s ARG 895 Ca -0.04 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.64 3cob s ARG 895 Cb -0.15 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 3cob s ARG 895 CO 0.03 0.01 0.12 -0.51 -0.81 0.00 0.00 175.30 174.14 3cob s LEU 896 N 0.75 4.28 0.17 -0.88 1.43 0.97 -2.13 118.68 123.26 3cob s LEU 896 Ca -0.09 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 3cob s LEU 896 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3cob s LEU 896 CO -0.00 0.39 -0.01 0.00 0.23 0.00 0.00 176.35 176.95 3cob s ARG 897 N -0.88 2.37 0.88 1.70 1.70 -1.21 -2.41 118.95 121.09 3cob s ARG 897 Ca 0.14 -1.11 -0.12 0.00 -0.47 0.00 0.00 55.73 54.17 3cob s ARG 897 Cb -0.12 -2.34 0.12 0.00 -0.57 0.00 0.00 34.95 32.04 3cob s ARG 897 CO 0.03 0.46 1.12 -1.25 -1.08 0.00 0.00 175.30 174.58 3cob s PRO 898 N -2.88 1.43 0.39 3.89 0.04 -1.26 -4.36 135.00 132.25 3cob s PRO 898 Ca 0.27 0.43 -0.27 0.00 0.04 0.00 0.00 61.00 61.46 3cob s PRO 898 Cb -0.09 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3cob s PRO 898 CO 0.18 -2.03 1.44 -0.51 0.04 0.00 0.00 177.00 176.13 3cob s LEU 899 N -5.97 4.29 0.39 -3.56 1.43 -1.26 -4.87 118.68 109.12 3cob s LEU 899 Ca 0.63 2.96 0.07 0.00 -1.03 0.00 0.00 54.13 56.77 3cob s LEU 899 Cb -0.15 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3cob s LEU 899 CO 0.54 -0.89 0.52 0.00 0.23 0.00 0.00 176.35 176.75 3cob h GLU 901 N 0.75 -0.01 0.00 0.00 4.81 -2.00 0.12 114.58 118.25 3cob h GLU 901 Ca -0.42 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 3cob h GLU 901 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3cob h GLU 901 CO 0.48 -0.01 -0.18 0.87 -0.73 0.00 0.00 179.01 179.44 3cob h LYS 902 N -0.01 0.00 0.00 1.92 1.57 -1.98 -1.27 116.57 116.79 3cob h LYS 902 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3cob h LYS 902 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3cob h LYS 902 CO -0.87 0.18 -0.19 0.93 -0.57 0.00 0.00 179.45 178.93 3cob h GLU 903 N 0.00 0.00 0.06 3.15 5.08 -1.17 -2.36 114.58 119.34 3cob h GLU 903 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3cob h GLU 903 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3cob h GLU 903 CO 0.02 0.00 -1.62 0.82 -1.00 0.00 0.00 179.01 177.23 3cob h ILE 904 N 0.00 1.00 0.00 3.13 2.04 -0.88 -0.24 117.51 122.56 3cob h ILE 904 Ca 0.00 -2.75 -0.08 0.00 1.00 0.00 0.00 64.86 63.03 3cob h ILE 904 Cb 0.95 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 3cob h ILE 904 CO 0.00 0.72 -0.37 0.40 0.00 0.00 0.00 178.15 178.90 3cob h ILE 905 N 0.03 0.97 -0.13 -0.67 1.08 -1.23 -1.40 117.51 116.16 3cob h ILE 905 Ca -0.26 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 3cob h ILE 905 Cb 1.99 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.59 3cob h ILE 905 CO 0.11 0.36 0.00 0.00 -0.69 0.00 0.00 178.15 177.94 3cob n ALA 906 N -2.33 2.54 -3.15 1.87 0.00 -0.89 -4.92 120.51 113.62 3cob n ALA 906 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 3cob n ALA 906 Cb 0.47 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.83 3cob n ALA 906 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cob n LYS 907 N 0.11 -5.03 -1.90 0.00 5.02 -0.53 -4.97 118.16 110.87 3cob n LYS 907 Ca 0.16 0.83 -0.32 0.00 -2.02 0.00 0.00 58.31 56.96 3cob n LYS 907 Cb 0.28 -5.70 0.02 0.00 -0.02 0.00 0.00 35.03 29.62 3cob n LYS 907 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cob s GLU 908 N -5.84 3.19 0.12 1.97 0.41 -0.11 -5.03 118.70 113.42 3cob s GLU 908 Ca 0.36 1.13 0.10 0.00 -0.41 0.00 0.00 54.97 56.15 3cob s GLU 908 Cb -0.16 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.13 3cob s GLU 908 CO 0.44 -0.91 -0.24 -0.98 -0.49 0.00 0.00 175.26 173.08 3cob s ARG 909 N -4.36 1.29 -0.10 1.61 1.70 -1.26 -4.79 118.95 113.03 3cob s ARG 909 Ca 0.62 -1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 54.31 3cob s ARG 909 Cb -0.15 -1.67 -0.06 0.00 -0.57 0.00 0.00 34.95 32.49 3cob s ARG 909 CO 0.42 0.39 2.00 -0.80 -1.08 0.00 0.00 175.30 176.23 3cob s ASN 910 N -2.04 6.07 0.00 -2.89 -0.87 -1.26 -2.41 114.94 111.54 3cob s ASN 910 Ca 0.11 2.21 0.20 0.00 -1.57 0.00 0.00 52.86 53.81 3cob s ASN 910 Cb -0.10 -2.52 0.13 0.00 -0.02 0.00 0.00 41.25 38.74 3cob s ASN 910 CO 0.05 -1.42 1.11 0.00 -2.57 0.00 0.00 177.10 174.28 3cob n ALA 911 N 9.23 2.63 -2.47 0.60 0.00 0.39 -4.91 120.51 125.99 3cob n ALA 911 Ca 0.23 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 3cob n ALA 911 Cb 0.43 -0.69 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 3cob n ALA 911 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cob s ILE 912 N -1.80 1.54 0.20 0.00 -1.09 -1.23 -3.30 121.20 115.52 3cob s ILE 912 Ca 0.22 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 3cob s ILE 912 Cb 0.17 -1.28 -0.05 0.00 -1.58 0.00 0.00 42.46 39.72 3cob s ILE 912 CO 0.30 0.44 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.30 3cob s ARG 913 N -0.43 1.23 -0.29 2.79 0.52 0.16 -4.97 118.95 117.97 3cob s ARG 913 Ca 0.07 -1.60 0.01 0.00 -0.52 0.00 0.00 55.73 53.69 3cob s ARG 913 Cb -0.08 -0.52 0.06 0.00 0.52 0.00 0.00 34.95 34.94 3cob s ARG 913 CO -0.01 -0.08 -0.04 0.45 0.02 0.00 0.00 175.30 175.64 3cob s SER 914 N -3.25 4.67 0.00 0.23 0.15 -1.26 -0.50 113.70 113.75 3cob s SER 914 Ca 0.25 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 55.30 3cob s SER 914 Cb 0.05 -1.62 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 3cob s SER 914 CO 0.06 -0.25 0.85 0.58 1.20 0.00 0.00 173.24 175.67 3cob h VAL 915 N 6.63 0.00 -1.79 4.45 2.07 -1.68 -3.49 116.25 122.45 3cob h VAL 915 Ca -0.17 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3cob h VAL 915 Cb 1.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3cob h VAL 915 CO 0.50 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.19 3cob n ASP 916 N -3.51 0.63 0.00 0.57 5.68 -1.19 -4.99 116.55 113.74 3cob n ASP 916 Ca -0.05 -0.15 0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3cob n ASP 916 Cb 0.16 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.66 3cob n ASP 916 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3cob n GLU 917 N 0.00 0.23 0.00 0.11 1.02 -1.26 -3.48 120.64 117.26 3cob n GLU 917 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3cob n GLU 917 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3cob n GLU 917 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3cob n PHE 918 N -1.34 0.00 -4.95 -0.32 3.01 -1.26 0.86 117.46 113.46 3cob n PHE 918 Ca 0.09 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.28 3cob n PHE 918 Cb 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.50 3cob n PHE 918 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3cob s THR 919 N -0.46 1.58 0.08 4.37 2.01 -1.23 -0.85 115.64 121.14 3cob s THR 919 Ca 0.00 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.21 3cob s THR 919 Cb 0.00 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3cob s THR 919 CO 0.00 0.43 -0.23 0.54 -0.69 0.00 0.00 174.62 174.67 3cob s VAL 920 N -0.49 1.87 0.05 3.82 0.11 -0.78 -1.76 120.40 123.21 3cob s VAL 920 Ca 0.08 -1.45 0.04 0.00 -2.93 0.00 0.00 61.98 57.71 3cob s VAL 920 Cb -0.08 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3cob s VAL 920 CO -0.01 0.12 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.07 3cob s GLU 921 N -1.60 0.70 0.19 1.54 2.12 0.35 -1.65 118.70 120.35 3cob s GLU 921 Ca 0.09 -0.80 -0.14 0.00 0.36 0.00 0.00 54.97 54.48 3cob s GLU 921 Cb -0.10 -0.62 0.01 0.00 0.26 0.00 0.00 34.13 33.69 3cob s GLU 921 CO 0.03 0.14 0.42 -3.38 -0.54 0.00 0.00 175.26 171.93 3cob s HIS 922 N -1.17 0.12 0.21 5.30 -3.43 -1.05 0.38 115.29 115.65 3cob s HIS 922 Ca -0.04 -0.48 -0.18 0.00 -0.80 0.00 0.00 55.06 53.56 3cob s HIS 922 Cb -0.09 0.20 -0.08 0.00 -1.43 0.00 0.00 32.58 31.17 3cob s HIS 922 CO 0.01 -0.84 0.68 -0.48 -2.00 0.00 0.00 174.74 172.11 3cob s LEU 923 N -2.92 4.31 0.00 5.38 2.34 -1.21 -1.75 118.68 124.84 3cob s LEU 923 Ca 0.13 1.31 0.01 0.00 0.06 0.00 0.00 54.13 55.64 3cob s LEU 923 Cb 0.01 -3.55 0.01 0.00 -0.56 0.00 0.00 46.19 42.10 3cob s LEU 923 CO -0.01 0.03 0.11 1.87 -1.06 0.00 0.00 176.35 177.28 3cob n TRP 924 N 0.63 -0.23 0.10 3.48 -0.00 -0.80 -4.88 117.44 115.75 3cob n TRP 924 Ca -0.03 -1.25 -0.12 0.00 -0.00 0.00 0.00 57.50 56.10 3cob n TRP 924 Cb 0.51 -0.20 -0.05 0.00 -0.00 0.00 0.00 31.31 31.57 3cob n TRP 924 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 3cob h LYS 925 N 0.00 -0.46 0.00 5.87 5.09 -1.98 -2.55 116.57 122.53 3cob h LYS 925 Ca -0.20 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.57 3cob h LYS 925 Cb 0.66 0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.09 3cob h LYS 925 CO 0.32 -0.31 0.00 -3.47 -2.09 0.00 0.00 179.45 173.90 3cob n ASP 926 N -5.39 0.00 -0.03 7.07 4.64 -1.26 -4.66 116.55 116.92 3cob n ASP 926 Ca -0.06 -0.44 -0.00 0.00 -1.38 0.00 0.00 54.79 52.91 3cob n ASP 926 Cb 0.31 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.39 3cob n ASP 926 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3cob n ASP 927 N -0.72 -1.71 -2.55 1.67 4.64 -0.96 -5.07 116.55 111.85 3cob n ASP 927 Ca 0.03 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.40 3cob n ASP 927 Cb 0.01 -0.55 0.02 0.00 -1.04 0.00 0.00 41.12 39.56 3cob n ASP 927 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3cob n LYS 928 N -1.67 0.79 -3.79 -0.67 4.01 -1.25 -4.88 118.16 110.70 3cob n LYS 928 Ca -0.00 -0.59 -0.29 0.00 -0.51 0.00 0.00 58.31 56.92 3cob n LYS 928 Cb 0.34 -0.07 -0.15 0.00 -0.51 0.00 0.00 35.03 34.63 3cob n LYS 928 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3cob s ALA 929 N -2.35 1.59 0.05 7.82 0.00 -1.26 -1.91 121.76 125.71 3cob s ALA 929 Ca 0.12 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 3cob s ALA 929 Cb -0.01 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 3cob s ALA 929 CO 0.08 -1.47 0.75 0.21 0.00 0.00 0.00 175.76 175.33 3cob s LYS 930 N 1.58 4.48 0.09 0.00 2.20 -0.71 -4.89 119.74 122.50 3cob s LYS 930 Ca 0.04 1.04 0.07 0.00 -0.36 0.00 0.00 55.97 56.77 3cob s LYS 930 Cb -0.18 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3cob s LYS 930 CO -0.17 0.31 -0.10 -0.65 -0.36 0.00 0.00 175.35 174.38 3cob s GLN 931 N -0.14 2.15 -0.01 4.03 -0.21 -1.26 -2.52 119.66 121.71 3cob s GLN 931 Ca 0.38 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3cob s GLN 931 Cb -0.20 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 3cob s GLN 931 CO 0.23 0.52 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.80 3cob s HIS 932 N -1.18 0.97 -0.00 0.91 3.76 -0.66 -5.01 115.29 114.08 3cob s HIS 932 Ca 0.21 -0.19 0.05 0.00 -0.15 0.00 0.00 55.06 54.97 3cob s HIS 932 Cb -0.11 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 3cob s HIS 932 CO 0.13 -0.03 -0.13 -1.64 -0.85 0.00 0.00 174.74 172.22 3cob s MET 933 N -0.19 2.38 0.26 1.40 -1.94 -1.26 -1.87 119.30 118.07 3cob s MET 933 Ca 0.03 -0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3cob s MET 933 Cb -0.05 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 3cob s MET 933 CO -0.00 0.59 0.25 0.71 -0.01 0.00 0.00 175.02 176.56 3cob s TYR 934 N -0.89 1.20 0.39 -0.03 2.02 -0.03 -4.91 117.35 115.09 3cob s TYR 934 Ca 0.15 -1.36 0.36 0.00 -0.37 0.00 0.00 57.07 55.85 3cob s TYR 934 Cb -0.11 -0.45 1.79 0.00 -0.40 0.00 0.00 41.96 42.79 3cob s TYR 934 CO 0.05 -0.80 2.15 -0.44 -1.57 0.00 0.00 175.55 174.94 3cob h ASP 935 N 2.39 0.00 -2.97 2.29 5.19 -1.59 -3.42 116.42 118.31 3cob h ASP 935 Ca -0.31 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.18 3cob h ASP 935 Cb 1.24 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.49 3cob h ASP 935 CO 0.45 0.03 0.42 -0.60 -3.12 0.00 0.00 179.24 176.42 3cob s ARG 936 N -3.97 0.47 -0.14 3.56 6.06 -1.23 -4.85 118.95 118.84 3cob s ARG 936 Ca -0.02 0.64 0.01 0.00 -2.50 0.00 0.00 55.73 53.86 3cob s ARG 936 Cb 0.11 0.18 0.02 0.00 0.06 0.00 0.00 34.95 35.33 3cob s ARG 936 CO 0.50 -0.07 -0.17 0.08 -2.50 0.00 0.00 175.30 173.15 3cob s VAL 937 N 0.63 1.72 -0.21 7.11 1.01 0.25 -0.25 120.40 130.66 3cob s VAL 937 Ca -0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3cob s VAL 937 Cb -0.05 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3cob s VAL 937 CO -0.10 0.48 0.12 -0.36 0.00 0.00 0.00 175.10 175.24 3cob s PHE 938 N 1.19 3.30 0.84 5.22 0.08 0.16 -4.66 117.98 124.10 3cob s PHE 938 Ca -0.01 0.16 -0.10 0.00 0.12 0.00 0.00 56.93 57.10 3cob s PHE 938 Cb -0.14 -2.19 0.14 0.00 -0.57 0.00 0.00 43.02 40.26 3cob s PHE 938 CO -0.07 0.11 1.17 0.16 -0.10 0.00 0.00 175.22 176.50 3cob s ASP 939 N 0.73 3.94 0.59 1.36 -4.77 -1.26 -0.02 116.67 117.23 3cob s ASP 939 Ca 0.06 0.28 0.29 0.00 -3.30 0.00 0.00 52.55 49.88 3cob s ASP 939 Cb -0.13 -0.59 1.47 0.00 -1.09 0.00 0.00 42.92 42.59 3cob s ASP 939 CO 0.02 -2.19 1.89 1.23 0.70 0.00 0.00 175.17 176.82 3cob h GLY 940 N -1.11 0.00 1.29 2.12 0.00 -1.76 0.86 103.07 104.47 3cob h GLY 940 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3cob h GLY 940 CO 0.48 0.00 -0.44 0.70 0.00 0.00 0.00 176.54 177.28 3cob n ASN 941 N -3.75 0.53 -4.67 0.19 3.02 -1.26 -4.09 115.26 105.23 3cob n ASN 941 Ca 0.09 0.08 -0.48 0.00 -0.03 0.00 0.00 54.58 54.24 3cob n ASN 941 Cb 0.69 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 3cob n ASN 941 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cob n ALA 942 N -1.65 0.83 -2.07 5.41 0.00 0.30 -4.95 120.51 118.38 3cob n ALA 942 Ca 0.05 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 3cob n ALA 942 Cb 0.38 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.50 3cob n ALA 942 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cob s THR 943 N 2.28 3.30 0.45 0.00 -4.23 -1.26 -4.92 115.64 111.25 3cob s THR 943 Ca 0.86 -0.18 0.10 0.00 -1.18 0.00 0.00 61.69 61.29 3cob s THR 943 Cb -0.74 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.06 3cob s THR 943 CO 0.46 -0.30 2.08 1.56 -0.54 0.00 0.00 174.62 177.88 3cob h GLN 944 N -0.17 0.36 -0.18 3.99 1.08 -1.92 -1.55 115.11 116.71 3cob h GLN 944 Ca -0.45 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 3cob h GLN 944 Cb 1.27 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 3cob h GLN 944 CO 0.59 0.24 0.07 0.22 -0.95 0.00 0.00 178.83 179.00 3cob h ASP 945 N 0.37 0.25 -0.34 1.46 3.58 -1.92 -0.98 116.42 118.84 3cob h ASP 945 Ca 0.11 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 3cob h ASP 945 Cb 0.00 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3cob h ASP 945 CO -0.02 0.35 0.09 0.44 -2.88 0.00 0.00 179.24 177.22 3cob h ASP 946 N 0.13 0.58 -0.03 2.28 3.32 -1.68 -1.03 116.42 119.99 3cob h ASP 946 Ca 0.06 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3cob h ASP 946 Cb 0.18 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3cob h ASP 946 CO -0.00 0.58 -0.01 0.58 -1.72 0.00 0.00 179.24 178.66 3cob h VAL 947 N 0.61 1.33 -0.37 -1.35 2.07 -1.09 -3.17 116.25 114.28 3cob h VAL 947 Ca 0.14 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3cob h VAL 947 Cb 0.24 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3cob h VAL 947 CO -0.00 0.27 -0.03 0.15 0.02 0.00 0.00 177.57 177.98 3cob h PHE 948 N -0.34 0.63 -0.05 1.57 3.57 -1.02 -2.66 116.94 118.65 3cob h PHE 948 Ca 0.01 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.44 3cob h PHE 948 Cb 0.44 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3cob h PHE 948 CO 0.07 0.62 0.05 1.49 -2.23 0.00 0.00 178.31 178.32 3cob h GLU 949 N 0.56 0.00 -0.03 1.11 4.57 -1.16 0.15 114.58 119.78 3cob h GLU 949 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3cob h GLU 949 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3cob h GLU 949 CO 0.02 0.00 -0.10 -0.25 -1.18 0.00 0.00 179.01 177.50 3cob n ASP 950 N -3.82 2.67 0.00 1.04 8.00 -1.01 -4.16 116.55 119.28 3cob n ASP 950 Ca -0.02 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3cob n ASP 950 Cb 0.14 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3cob n ASP 950 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cob n THR 951 N 0.97 0.00 -0.32 -3.53 -2.24 -0.62 -4.78 114.28 103.76 3cob n THR 951 Ca 0.13 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.47 3cob n THR 951 Cb 0.55 1.00 0.13 0.00 -2.10 0.00 0.00 70.33 69.92 3cob n THR 951 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3cob h LYS 952 N 0.00 0.01 -0.86 -0.78 3.64 -0.91 -1.54 116.57 116.12 3cob h LYS 952 Ca 0.00 -0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 3cob h LYS 952 Cb 0.00 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3cob h LYS 952 CO 0.00 0.00 0.60 0.10 -2.27 0.00 0.00 179.45 177.88 3cob h TYR 953 N 0.01 0.17 -0.01 1.91 -0.00 -1.86 -1.22 116.97 115.96 3cob h TYR 953 Ca 0.44 0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.18 3cob h TYR 953 Cb 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.38 3cob h TYR 953 CO -0.67 0.04 0.09 -0.07 -0.00 0.00 0.00 178.16 177.56 3cob h LEU 954 N 0.13 0.00 -0.13 0.10 -0.00 -1.66 -1.26 115.31 112.50 3cob h LEU 954 Ca 0.42 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 58.09 3cob h LEU 954 Cb 1.47 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.14 3cob h LEU 954 CO -0.06 0.00 -0.75 0.58 -0.00 0.00 0.00 178.44 178.20 3cob h VAL 955 N 0.00 1.29 -0.25 1.22 2.07 -1.41 -2.71 116.25 116.46 3cob h VAL 955 Ca 0.01 -1.97 -0.12 0.00 0.82 0.00 0.00 66.70 65.44 3cob h VAL 955 Cb 0.19 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3cob h VAL 955 CO -0.00 0.62 -0.33 -0.61 0.02 0.00 0.00 177.57 177.27 3cob h GLN 956 N 0.44 0.54 -0.63 1.57 5.75 -1.40 -2.66 115.11 118.72 3cob h GLN 956 Ca -0.06 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3cob h GLN 956 Cb 1.39 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 3cob h GLN 956 CO 0.15 0.80 0.36 0.77 -2.65 0.00 0.00 178.83 178.26 3cob h SER 957 N 0.46 0.76 0.52 -0.69 0.02 -1.35 -1.35 113.55 111.93 3cob h SER 957 Ca 0.05 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3cob h SER 957 Cb 0.79 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.14 3cob h SER 957 CO 0.06 0.60 -0.25 0.00 -1.14 0.00 0.00 176.83 176.11 3cob h ALA 958 N 1.53 -0.70 -0.88 3.77 0.00 -1.15 -0.45 119.26 121.38 3cob h ALA 958 Ca 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3cob h ALA 958 Cb -0.00 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3cob h ALA 958 CO -0.04 -0.78 0.57 -0.39 0.00 0.00 0.00 179.25 178.61 3cob h VAL 959 N -0.93 1.00 0.00 0.00 -1.51 -1.32 0.36 116.25 113.85 3cob h VAL 959 Ca -0.07 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3cob h VAL 959 Cb 0.61 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 3cob h VAL 959 CO 0.12 0.17 0.02 0.47 -1.23 0.00 0.00 177.57 177.11 3cob n ASP 960 N -4.51 0.44 0.00 4.19 10.43 -0.52 -4.68 116.55 121.89 3cob n ASP 960 Ca 0.14 0.70 0.00 0.00 2.57 0.00 0.00 54.79 58.20 3cob n ASP 960 Cb 0.27 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.49 3cob n ASP 960 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cob n GLY 961 N -1.33 1.19 3.80 0.44 0.00 0.13 -4.72 105.19 104.69 3cob n GLY 961 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3cob n GLY 961 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cob s TYR 962 N -2.00 3.02 -0.42 1.61 2.02 -0.20 -1.43 117.35 119.96 3cob s TYR 962 Ca 0.00 1.56 -0.19 0.00 -0.37 0.00 0.00 57.07 58.07 3cob s TYR 962 Cb 0.00 -3.04 0.02 0.00 -0.40 0.00 0.00 41.96 38.54 3cob s TYR 962 CO 0.00 -0.84 0.54 1.21 -1.57 0.00 0.00 175.55 174.89 3cob s ASN 963 N -2.16 6.26 -0.09 2.29 2.47 -1.26 -1.26 114.94 121.19 3cob s ASN 963 Ca 0.66 -0.45 -0.02 0.00 0.42 0.00 0.00 52.86 53.47 3cob s ASN 963 Cb -0.16 -2.27 -0.03 0.00 -1.45 0.00 0.00 41.25 37.34 3cob s ASN 963 CO 0.23 -0.66 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.25 3cob s VAL 964 N 2.47 4.18 -0.04 -5.21 1.01 0.28 -0.73 120.40 122.36 3cob s VAL 964 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3cob s VAL 964 Cb -0.16 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3cob s VAL 964 CO 0.16 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 175.79 3cob s ILE 966 N 0.76 1.28 0.13 0.00 1.01 -0.18 -1.07 121.20 123.13 3cob s ILE 966 Ca -0.11 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3cob s ILE 966 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3cob s ILE 966 CO 0.01 0.35 -0.15 0.72 0.00 0.00 0.00 174.94 175.87 3cob s PHE 967 N 1.59 1.46 -0.08 3.97 -0.12 -0.84 -0.41 117.98 123.55 3cob s PHE 967 Ca 0.04 -0.55 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 3cob s PHE 967 Cb -0.13 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 3cob s PHE 967 CO -0.09 0.17 -0.08 0.00 -0.05 0.00 0.00 175.22 175.17 3cob s ALA 968 N -2.17 2.93 -0.04 1.99 0.00 -0.50 -0.30 121.76 123.67 3cob s ALA 968 Ca 0.10 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3cob s ALA 968 Cb -0.05 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3cob s ALA 968 CO 0.03 0.51 -0.04 -0.47 0.00 0.00 0.00 175.76 175.79 3cob s TYR 969 N -0.58 0.64 0.00 0.00 6.14 0.15 -3.35 117.35 120.35 3cob s TYR 969 Ca 0.09 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.64 3cob s TYR 969 Cb -0.12 -0.57 0.00 0.00 0.42 0.00 0.00 41.96 41.69 3cob s TYR 969 CO 0.02 -0.15 0.00 0.41 0.64 0.00 0.00 175.55 176.47 3cob n GLY 970 N 3.90 1.25 3.80 8.97 0.00 -1.26 -0.20 105.19 121.65 3cob n GLY 970 Ca -0.24 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3cob n GLY 970 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cob s GLN 971 N -2.00 2.92 0.30 1.61 -2.07 -1.26 -1.12 119.66 118.03 3cob s GLN 971 Ca 0.00 1.10 -0.29 0.00 -1.82 0.00 0.00 55.36 54.34 3cob s GLN 971 Cb 0.00 -1.98 -0.13 0.00 -1.09 0.00 0.00 33.01 29.81 3cob s GLN 971 CO 0.00 -1.12 1.31 2.41 -1.32 0.00 0.00 175.29 176.56 3cob n THR 972 N -2.83 1.60 -0.48 3.63 -1.04 -1.26 -1.30 114.28 112.58 3cob n THR 972 Ca 0.08 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3cob n THR 972 Cb 0.53 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3cob n THR 972 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cob n GLY 973 N 1.34 1.06 0.11 3.41 0.00 -1.26 -4.94 105.19 104.92 3cob n GLY 973 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 3cob n GLY 973 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cob h SER 974 N 0.00 0.00 0.00 1.61 4.64 -1.53 -3.47 113.55 114.80 3cob h SER 974 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cob h SER 974 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cob h SER 974 CO 0.00 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 3cob n GLY 975 N 1.29 1.55 0.47 -0.77 0.00 -1.26 -4.16 105.19 102.31 3cob n GLY 975 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3cob n GLY 975 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cob h LYS 976 N 0.00 -1.09 -0.58 1.61 1.57 -1.93 -2.09 116.57 114.06 3cob h LYS 976 Ca 0.00 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3cob h LYS 976 Cb 0.00 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3cob h LYS 976 CO 0.00 -0.73 0.23 1.15 -0.57 0.00 0.00 179.45 179.54 3cob h THR 977 N -1.13 1.21 -0.67 -0.16 2.02 -1.95 -0.43 112.91 111.79 3cob h THR 977 Ca -0.10 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3cob h THR 977 Cb 0.89 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3cob h THR 977 CO 0.14 0.25 0.36 0.15 0.37 0.00 0.00 175.52 176.79 3cob h PHE 978 N 0.82 0.91 0.00 3.16 3.04 -1.88 0.28 116.94 123.27 3cob h PHE 978 Ca 0.20 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 3cob h PHE 978 Cb 0.15 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3cob h PHE 978 CO 0.01 0.64 -0.02 1.15 -2.02 0.00 0.00 178.31 178.07 3cob h THR 979 N 0.93 1.65 -0.00 4.41 2.02 -0.69 -2.01 112.91 119.23 3cob h THR 979 Ca 0.24 -1.95 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 3cob h THR 979 Cb 0.03 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3cob h THR 979 CO -0.04 0.51 -0.00 0.40 0.37 0.00 0.00 175.52 176.76 3cob h ILE 980 N -0.80 1.38 0.00 3.11 1.08 -1.05 -0.37 117.51 120.86 3cob h ILE 980 Ca -0.00 -1.12 -0.18 0.00 -0.39 0.00 0.00 64.86 63.16 3cob h ILE 980 Cb 0.85 2.14 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 3cob h ILE 980 CO 0.00 0.29 -1.46 -1.22 -0.69 0.00 0.00 178.15 175.08 3cob n TYR 981 N -4.86 0.00 -1.62 1.37 4.02 0.57 -1.05 117.16 115.59 3cob n TYR 981 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3cob n TYR 981 Cb 0.25 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 3cob n TYR 981 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cob n GLY 982 N 1.91 -2.27 3.95 2.72 0.00 0.67 0.50 105.19 112.67 3cob n GLY 982 Ca -0.25 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 3cob n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cob s ALA 983 N -1.03 3.78 -0.19 4.61 0.00 -0.46 -4.71 121.76 123.74 3cob s ALA 983 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3cob s ALA 983 Cb 0.00 -2.11 0.17 0.00 0.00 0.00 0.00 23.12 21.18 3cob s ALA 983 CO 0.00 -0.30 1.18 -0.40 0.00 0.00 0.00 175.76 176.24 3cob n ASP 984 N -2.01 3.07 0.00 0.00 5.68 -1.26 -1.70 116.55 120.33 3cob n ASP 984 Ca 0.00 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.91 3cob n ASP 984 Cb 0.57 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3cob n ASP 984 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3cob n SER 985 N 0.10 1.22 -3.33 -1.12 3.41 -1.26 -4.89 113.62 107.75 3cob n SER 985 Ca 0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.50 3cob n SER 985 Cb 0.76 0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 3cob n SER 985 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3cob n ASN 986 N -0.70 0.66 -4.62 4.04 2.85 -0.69 -5.12 115.26 111.68 3cob n ASN 986 Ca 0.00 -2.74 -0.49 0.00 -0.11 0.00 0.00 54.58 51.25 3cob n ASN 986 Cb 0.08 -0.63 -0.05 0.00 1.24 0.00 0.00 39.78 40.43 3cob n ASN 986 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3cob n PRO 987 N 1.77 1.55 0.00 1.20 -0.02 -0.73 -1.36 135.00 137.42 3cob n PRO 987 Ca 0.25 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3cob n PRO 987 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3cob n PRO 987 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cob n GLY 988 N 2.62 0.91 0.25 -1.23 0.00 0.18 -4.82 105.19 103.11 3cob n GLY 988 Ca 0.16 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 3cob n GLY 988 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cob h LEU 989 N 0.00 -0.48 0.15 0.99 3.38 -0.88 -3.12 115.31 115.35 3cob h LEU 989 Ca 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3cob h LEU 989 Cb 0.00 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3cob h LEU 989 CO 0.00 -0.21 -0.48 0.74 0.09 0.00 0.00 178.44 178.59 3cob h THR 990 N -0.75 0.00 -0.15 0.22 2.02 -1.34 0.64 112.91 113.55 3cob h THR 990 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3cob h THR 990 Cb 0.52 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3cob h THR 990 CO 0.10 0.00 0.10 1.55 0.37 0.00 0.00 175.52 177.64 3cob h PRO 991 N -0.71 0.08 -0.05 6.66 0.13 -1.80 0.66 132.00 136.97 3cob h PRO 991 Ca -0.01 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 3cob h PRO 991 Cb 0.70 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3cob h PRO 991 CO -0.24 0.05 -0.68 0.00 -0.23 0.00 0.00 178.00 176.90 3cob h ARG 992 N 0.08 0.24 -0.36 0.86 3.08 -1.27 -2.82 114.38 114.19 3cob h ARG 992 Ca 0.07 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3cob h ARG 992 Cb 0.16 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3cob h ARG 992 CO -0.01 0.83 -0.03 0.00 -1.07 0.00 0.00 179.97 179.70 3cob h ALA 993 N 1.12 0.48 -0.58 0.04 0.00 0.23 -0.82 119.26 119.73 3cob h ALA 993 Ca -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3cob h ALA 993 Cb 1.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3cob h ALA 993 CO 0.11 0.28 0.18 0.52 0.00 0.00 0.00 179.25 180.33 3cob h MET 994 N 0.45 0.87 -0.41 0.00 2.86 -0.96 0.26 114.93 118.01 3cob h MET 994 Ca 0.10 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 3cob h MET 994 Cb 0.50 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3cob h MET 994 CO 0.02 0.76 -0.26 1.03 1.06 0.00 0.00 176.91 179.52 3cob h SER 995 N 0.85 0.88 0.06 1.22 0.87 -1.36 -2.46 113.55 113.61 3cob h SER 995 Ca 0.19 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.32 3cob h SER 995 Cb 0.25 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3cob h SER 995 CO -0.01 1.09 -0.28 -0.08 -0.53 0.00 0.00 176.83 177.02 3cob h GLU 996 N 0.73 0.36 -0.50 2.24 4.57 -0.27 -1.28 114.58 120.43 3cob h GLU 996 Ca 0.09 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3cob h GLU 996 Cb 0.80 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 3cob h GLU 996 CO 0.07 0.61 0.31 1.25 -1.18 0.00 0.00 179.01 180.07 3cob h LEU 997 N 0.31 0.60 -0.43 1.64 5.85 -0.10 -1.87 115.31 121.33 3cob h LEU 997 Ca 0.05 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3cob h LEU 997 Cb 0.66 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3cob h LEU 997 CO 0.05 0.48 -0.68 -0.26 -0.34 0.00 0.00 178.44 177.68 3cob h PHE 998 N 0.67 0.61 -0.71 1.25 0.04 -1.15 -1.60 116.94 116.06 3cob h PHE 998 Ca 0.18 -0.25 0.08 0.00 2.80 0.00 0.00 57.97 60.77 3cob h PHE 998 Cb -0.02 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 3cob h PHE 998 CO -0.03 1.00 0.38 -0.09 -0.60 0.00 0.00 178.31 178.98 3cob h ARG 999 N 0.33 0.65 0.26 1.51 2.43 -0.85 0.84 114.38 119.54 3cob h ARG 999 Ca -0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3cob h ARG 999 Cb 1.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3cob h ARG 999 CO 0.12 0.43 -0.13 0.82 -1.51 0.00 0.00 179.97 179.71 3cob h ILE 1000N 0.67 0.78 -0.97 1.20 2.04 -1.17 -2.45 117.51 117.61 3cob h ILE 1000Ca 0.33 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.70 3cob h ILE 1000Cb 0.28 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3cob h ILE 1000CO -0.23 0.12 0.62 0.24 0.00 0.00 0.00 178.15 178.90 3cob h MET 1001N -0.68 0.95 -0.69 2.37 2.86 -1.07 0.41 114.93 119.08 3cob h MET 1001Ca -0.04 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3cob h MET 1001Cb 0.47 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3cob h MET 1001CO 0.06 0.63 0.23 -0.22 1.06 0.00 0.00 176.91 178.66 3cob h LYS 1002N 0.98 1.04 0.00 1.72 3.64 -0.78 -1.80 116.57 121.37 3cob h LYS 1002Ca 0.46 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3cob h LYS 1002Cb 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3cob h LYS 1002CO -0.22 0.88 -0.38 1.57 -2.27 0.00 0.00 179.45 179.03 3cob h LYS 1003N 1.01 0.00 -0.70 1.90 2.10 -0.73 -3.24 116.57 116.91 3cob h LYS 1003Ca 0.23 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.54 3cob h LYS 1003Cb 0.27 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.39 3cob h LYS 1003CO -0.01 0.18 0.31 -0.25 -2.00 0.00 0.00 179.45 177.68 3cob n ASP 1004N -3.08 3.42 0.13 7.07 8.00 0.02 -4.55 116.55 127.56 3cob n ASP 1004Ca 0.02 -3.60 -0.02 0.00 0.71 0.00 0.00 54.79 51.90 3cob n ASP 1004Cb 0.62 -0.74 0.13 0.00 -0.02 0.00 0.00 41.12 41.10 3cob n ASP 1004CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3cob h SER 1005N 1.24 0.00 -0.01 -2.24 0.02 -1.36 -2.21 113.55 108.98 3cob h SER 1005Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3cob h SER 1005Cb 2.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.85 3cob h SER 1005CO 0.77 0.67 0.00 -0.46 -1.14 0.00 0.00 176.83 176.66 3cob n ASN 1006N -3.69 0.19 0.00 3.07 0.23 -1.26 -3.87 115.26 109.93 3cob n ASN 1006Ca -0.01 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 3cob n ASN 1006Cb 0.67 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 3cob n ASN 1006CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3cob n LYS 1007N -0.75 2.76 -4.00 -3.83 4.76 -1.17 -5.00 118.16 110.93 3cob n LYS 1007Ca 0.18 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.54 3cob n LYS 1007Cb 0.12 -0.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.89 3cob n LYS 1007CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3cob s PHE 1008N -0.37 0.33 -0.13 2.13 0.40 -0.84 -1.49 117.98 118.00 3cob s PHE 1008Ca 0.00 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 3cob s PHE 1008Cb 0.00 -0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.28 3cob s PHE 1008CO 0.00 -0.31 -0.14 -1.54 0.70 0.00 0.00 175.22 173.94 3cob s SER 1009N -2.14 3.92 0.10 1.36 1.04 -0.41 -4.51 113.70 113.07 3cob s SER 1009Ca -0.05 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.07 3cob s SER 1009Cb -0.01 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 3cob s SER 1009CO -0.05 0.15 -0.01 -0.36 0.98 0.00 0.00 173.24 173.95 3cob s PHE 1010N 0.45 2.94 -0.05 5.02 0.08 -1.26 -0.20 117.98 124.95 3cob s PHE 1010Ca -0.10 -0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 3cob s PHE 1010Cb -0.16 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3cob s PHE 1010CO 0.05 0.48 0.04 0.45 -0.10 0.00 0.00 175.22 176.14 3cob s SER 1011N -2.39 1.32 -0.08 1.36 0.15 0.11 -4.99 113.70 109.18 3cob s SER 1011Ca 0.25 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.94 3cob s SER 1011Cb -0.11 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 3cob s SER 1011CO 0.18 -0.23 -0.14 -0.76 1.20 0.00 0.00 173.24 173.49 3cob s LEU 1012N 2.10 2.71 0.01 3.45 1.02 -1.26 -0.69 118.68 126.01 3cob s LEU 1012Ca 0.05 -0.25 -0.02 0.00 0.02 0.00 0.00 54.13 53.93 3cob s LEU 1012Cb -0.12 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 3cob s LEU 1012CO -0.04 0.28 0.03 -1.59 0.02 0.00 0.00 176.35 175.05 3cob s LYS 1013N -0.34 0.30 0.12 1.70 -2.85 -0.91 -0.37 119.74 117.40 3cob s LYS 1013Ca 0.03 -0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 54.57 3cob s LYS 1013Cb -0.13 0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.73 3cob s LYS 1013CO 0.02 -0.06 0.10 0.00 0.10 0.00 0.00 175.35 175.52 3cob s ALA 1014N -1.09 0.56 -0.04 0.59 0.00 0.83 0.14 121.76 122.75 3cob s ALA 1014Ca -0.12 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 3cob s ALA 1014Cb -0.07 0.77 0.05 0.00 0.00 0.00 0.00 23.12 23.87 3cob s ALA 1014CO -0.00 -0.51 0.55 1.52 0.00 0.00 0.00 175.76 177.32 3cob s TYR 1015N -4.00 -0.50 -0.04 0.00 -0.85 -0.71 0.50 117.35 111.75 3cob s TYR 1015Ca 0.19 0.84 0.01 0.00 -0.52 0.00 0.00 57.07 57.59 3cob s TYR 1015Cb 0.06 0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.73 3cob s TYR 1015CO -0.01 -0.53 -0.02 1.41 -1.52 0.00 0.00 175.55 174.88 3cob s MET 1016N -1.22 0.55 0.06 -3.49 1.75 -1.26 -1.32 119.30 114.36 3cob s MET 1016Ca -0.12 -0.00 0.04 0.00 -1.25 0.00 0.00 55.69 54.36 3cob s MET 1016Cb -0.02 -0.66 -0.03 0.00 2.84 0.00 0.00 34.83 36.96 3cob s MET 1016CO 0.08 -0.12 -0.12 0.54 -0.65 0.00 0.00 175.02 174.75 3cob s VAL 1017N 1.02 0.90 -0.08 10.11 0.11 -0.09 -1.07 120.40 131.30 3cob s VAL 1017Ca -0.10 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.79 3cob s VAL 1017Cb -0.14 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 3cob s VAL 1017CO -0.01 -0.27 -0.24 -0.70 -3.33 0.00 0.00 175.10 170.55 3cob s GLU 1018N -1.66 2.73 -0.26 1.54 2.12 0.22 -1.00 118.70 122.40 3cob s GLU 1018Ca -0.05 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.38 3cob s GLU 1018Cb -0.10 -2.18 0.01 0.00 0.26 0.00 0.00 34.13 32.13 3cob s GLU 1018CO 0.02 0.27 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.83 3cob s LEU 1019N 0.11 3.37 -0.41 2.70 2.96 -0.39 0.18 118.68 127.20 3cob s LEU 1019Ca -0.11 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 3cob s LEU 1019Cb -0.16 -1.75 0.12 0.00 0.50 0.00 0.00 46.19 44.89 3cob s LEU 1019CO 0.06 -0.13 0.16 -0.47 -1.32 0.00 0.00 176.35 174.65 3cob s TYR 1020N 1.41 3.03 -1.08 5.38 5.04 0.38 -1.59 117.35 129.92 3cob s TYR 1020Ca 0.02 -2.82 -0.08 0.00 -2.44 0.00 0.00 57.07 51.75 3cob s TYR 1020Cb -0.16 -2.58 -0.05 0.00 0.35 0.00 0.00 41.96 39.51 3cob s TYR 1020CO -0.02 -0.84 0.90 0.94 -1.34 0.00 0.00 175.55 175.18 3cob n GLN 1021N 3.83 -2.45 -0.99 4.97 7.27 -1.26 -2.55 117.38 126.20 3cob n GLN 1021Ca 0.04 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.90 3cob n GLN 1021Cb 0.37 -5.51 0.00 0.00 2.41 0.00 0.00 30.24 27.52 3cob n GLN 1021CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3cob n ASP 1022N -3.12 -2.91 -4.16 1.69 8.00 -1.26 -5.02 116.55 109.76 3cob n ASP 1022Ca -0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.07 3cob n ASP 1022Cb 0.62 -0.89 -0.15 0.00 -0.02 0.00 0.00 41.12 40.67 3cob n ASP 1022CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cob s THR 1023N -2.11 2.45 -0.14 -3.53 2.01 -1.06 -5.04 115.64 108.23 3cob s THR 1023Ca 0.00 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 3cob s THR 1023Cb 0.00 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3cob s THR 1023CO 0.00 0.40 0.24 -0.76 -0.69 0.00 0.00 174.62 173.81 3cob s LEU 1024N 1.31 4.30 -0.05 4.42 1.43 -1.26 -0.47 118.68 128.36 3cob s LEU 1024Ca 0.03 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 3cob s LEU 1024Cb -0.15 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3cob s LEU 1024CO -0.09 0.22 -0.16 -0.69 0.23 0.00 0.00 176.35 175.85 3cob s VAL 1025N -0.10 1.39 -0.38 -1.59 1.01 0.13 -4.85 120.40 116.01 3cob s VAL 1025Ca 0.15 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3cob s VAL 1025Cb -0.13 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3cob s VAL 1025CO 0.04 0.40 0.86 -0.62 0.00 0.00 0.00 175.10 175.78 3cob s ASP 1026N 0.19 6.60 0.00 3.32 3.68 -1.26 -0.61 116.67 128.58 3cob s ASP 1026Ca -0.07 0.41 0.30 0.00 2.13 0.00 0.00 52.55 55.32 3cob s ASP 1026Cb -0.13 -2.43 1.38 0.00 -1.45 0.00 0.00 42.92 40.29 3cob s ASP 1026CO 0.03 -0.83 1.95 0.18 0.13 0.00 0.00 175.17 176.63 3cob n LEU 1027N 6.66 0.41 -0.18 -1.34 4.77 -0.24 -3.53 117.00 123.56 3cob n LEU 1027Ca 0.05 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3cob n LEU 1027Cb 0.48 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3cob n LEU 1027CO 0.57 0.07 0.15 0.18 -1.33 0.00 0.00 177.39 177.03 3cob n LEU 1028N -0.90 1.08 -4.68 2.23 4.77 -1.25 -4.99 117.00 113.25 3cob n LEU 1028Ca 0.17 -0.68 -0.44 0.00 -0.03 0.00 0.00 56.01 55.03 3cob n LEU 1028Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3cob n LEU 1028CO 0.22 0.22 1.51 -0.11 -1.33 0.00 0.00 177.39 177.90 3cob n LEU 1029N -0.54 3.91 -4.57 2.23 7.94 -1.23 -4.91 117.00 119.82 3cob n LEU 1029Ca 0.04 0.96 -0.37 0.00 -1.11 0.00 0.00 56.01 55.53 3cob n LEU 1029Cb 0.22 -1.49 0.06 0.00 0.53 0.00 0.00 43.42 42.74 3cob n LEU 1029CO 0.17 0.11 0.40 -2.65 -1.11 0.00 0.00 177.39 174.31 3cob n PRO 1030N 6.44 0.65 -0.01 1.96 -0.02 -1.26 -4.94 135.00 137.81 3cob n PRO 1030Ca 0.20 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3cob n PRO 1030Cb 0.36 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3cob n PRO 1030CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3cob h LYS 1031N 0.12 -0.20 0.00 -0.52 1.79 -2.02 -2.58 116.57 113.17 3cob h LYS 1031Ca -0.47 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 57.98 3cob h LYS 1031Cb 1.36 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 3cob h LYS 1031CO 0.48 -0.13 -0.13 1.96 -1.08 0.00 0.00 179.45 180.55 3cob h GLN 1032N -0.20 0.00 -6.83 3.15 7.50 -2.04 -3.44 115.11 113.24 3cob h GLN 1032Ca 0.02 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.63 3cob h GLN 1032Cb 0.25 0.00 0.08 0.00 0.05 0.00 0.00 27.48 27.86 3cob h GLN 1032CO -0.18 0.13 0.82 0.00 -1.50 0.00 0.00 178.83 178.10 3cob s ALA 1033N -4.31 3.67 0.31 3.87 0.00 -0.97 -4.99 121.76 119.34 3cob s ALA 1033Ca -0.03 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 3cob s ALA 1033Cb 0.14 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3cob s ALA 1033CO 0.61 -0.94 0.72 -1.59 0.00 0.00 0.00 175.76 174.55 3cob s LYS 1034N -0.96 3.98 -0.20 0.00 -2.85 -1.26 -4.82 119.74 113.63 3cob s LYS 1034Ca 0.59 0.62 -0.11 0.00 -1.00 0.00 0.00 55.97 56.07 3cob s LYS 1034Cb -0.46 -2.45 -0.05 0.00 -2.06 0.00 0.00 37.83 32.81 3cob s LYS 1034CO 0.51 0.17 0.18 -0.98 0.10 0.00 0.00 175.35 175.33 3cob s ARG 1035N -2.98 4.19 0.44 1.78 1.70 -1.26 -5.06 118.95 117.76 3cob s ARG 1035Ca 0.53 -0.14 0.05 0.00 -0.47 0.00 0.00 55.73 55.70 3cob s ARG 1035Cb -0.10 -3.44 0.01 0.00 -0.57 0.00 0.00 34.95 30.85 3cob s ARG 1035CO 0.18 0.26 0.61 -0.51 -1.08 0.00 0.00 175.30 174.76 3cob s LEU 1036N 0.47 3.63 -0.05 -1.89 1.43 -1.26 -5.04 118.68 115.97 3cob s LEU 1036Ca 0.10 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 3cob s LEU 1036Cb -0.12 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 3cob s LEU 1036CO 0.00 -0.78 1.68 -0.75 0.23 0.00 0.00 176.35 176.73 3cob s LYS 1037N -4.45 4.17 -0.01 1.70 2.36 -1.26 -4.97 119.74 117.28 3cob s LYS 1037Ca 0.52 2.21 -0.28 0.00 -2.55 0.00 0.00 55.97 55.88 3cob s LYS 1037Cb -0.10 -4.00 -0.03 0.00 -1.05 0.00 0.00 37.83 32.65 3cob s LYS 1037CO 0.35 -0.86 0.88 -0.51 1.55 0.00 0.00 175.35 176.76 3cob s LEU 1038N 4.09 4.36 -0.15 5.43 1.43 -1.26 -4.78 118.68 127.80 3cob s LEU 1038Ca 0.74 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 3cob s LEU 1038Cb -0.34 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3cob s LEU 1038CO 0.30 -0.19 -0.18 -1.81 0.23 0.00 0.00 176.35 174.70 3cob s ASP 1039N 0.84 3.42 -0.03 2.29 1.01 -1.13 -4.95 116.67 118.12 3cob s ASP 1039Ca 0.46 -0.54 -0.27 0.00 0.71 0.00 0.00 52.55 52.92 3cob s ASP 1039Cb -0.20 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 3cob s ASP 1039CO 0.25 0.07 0.85 -0.63 0.21 0.00 0.00 175.17 175.92 3cob s ILE 1040N 0.87 4.94 0.00 0.77 -1.09 -1.26 -1.00 121.20 124.43 3cob s ILE 1040Ca -0.05 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 3cob s ILE 1040Cb -0.15 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 3cob s ILE 1040CO -0.02 0.21 0.00 0.29 -1.23 0.00 0.00 174.94 174.19 3cob n LYS 1041N 3.80 0.00 -3.76 2.79 5.02 -0.70 -4.61 118.16 120.71 3cob n LYS 1041Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 3cob n LYS 1041Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.44 3cob n LYS 1041CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3cob s LYS 1042N -1.19 0.75 0.48 1.97 0.00 -0.73 -0.43 119.74 120.60 3cob s LYS 1042Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 55.97 55.53 3cob s LYS 1042Cb 0.00 0.33 0.11 0.00 0.00 0.00 0.00 37.83 38.26 3cob s LYS 1042CO 0.00 -0.23 0.65 -0.40 0.00 0.00 0.00 175.35 175.38 3cob n ASP 1043N 0.85 0.32 0.24 0.03 3.85 -0.28 0.57 116.55 122.13 3cob n ASP 1043Ca -0.20 -1.40 0.09 0.00 -0.71 0.00 0.00 54.79 52.57 3cob n ASP 1043Cb 0.58 -0.48 0.62 0.00 -1.35 0.00 0.00 41.12 40.49 3cob n ASP 1043CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3cob h SER 1044N -0.71 0.00 1.43 -1.12 4.64 -1.89 -2.30 113.55 113.60 3cob h SER 1044Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3cob h SER 1044Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3cob h SER 1044CO 0.18 0.15 0.00 0.11 -0.87 0.00 0.00 176.83 176.40 3cob h LYS 1045N 0.00 0.00 0.00 4.77 1.79 -2.01 -3.47 116.57 117.66 3cob h LYS 1045Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3cob h LYS 1045Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3cob h LYS 1045CO 0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 3cob n GLY 1046N 0.95 0.60 3.71 3.86 0.00 -0.87 -4.80 105.19 108.64 3cob n GLY 1046Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3cob n GLY 1046CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cob s MET 1047N -0.69 4.52 0.39 1.61 0.00 -1.26 -4.53 119.30 119.34 3cob s MET 1047Ca 0.00 1.35 -0.23 0.00 0.00 0.00 0.00 55.69 56.81 3cob s MET 1047Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 34.83 31.25 3cob s MET 1047CO 0.00 -0.09 0.96 0.14 0.00 0.00 0.00 175.02 176.03 3cob s VAL 1048N 1.19 4.25 0.02 10.11 -7.23 -1.26 -1.12 120.40 126.35 3cob s VAL 1048Ca 0.50 1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 62.20 3cob s VAL 1048Cb -0.20 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 3cob s VAL 1048CO 0.25 -0.12 0.10 -0.94 -0.31 0.00 0.00 175.10 174.08 3cob s SER 1049N -1.92 0.12 -0.44 4.85 1.04 0.43 -4.92 113.70 112.87 3cob s SER 1049Ca 0.58 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 3cob s SER 1049Cb -0.14 0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.26 3cob s SER 1049CO 0.18 -0.42 0.31 -0.69 0.98 0.00 0.00 173.24 173.60 3cob s VAL 1050N -1.95 4.58 0.40 5.02 1.01 -1.26 -1.71 120.40 126.49 3cob s VAL 1050Ca -0.11 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.32 3cob s VAL 1050Cb -0.05 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 3cob s VAL 1050CO -0.01 -0.54 1.34 -0.62 0.00 0.00 0.00 175.10 175.27 3cob n GLU 1051N 5.02 2.15 -0.92 2.72 1.02 -0.17 -2.24 120.64 128.22 3cob n GLU 1051Ca -0.11 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3cob n GLU 1051Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3cob n GLU 1051CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3cob n ASN 1052N 0.28 -1.34 -4.84 1.62 5.03 -1.26 -2.84 115.26 111.90 3cob n ASN 1052Ca 0.05 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.17 3cob n ASN 1052Cb 0.39 -0.86 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 3cob n ASN 1052CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3cob s VAL 1053N -2.70 4.61 0.13 2.41 0.11 -0.95 -4.78 120.40 119.22 3cob s VAL 1053Ca 0.00 1.09 -0.30 0.00 -2.93 0.00 0.00 61.98 59.83 3cob s VAL 1053Cb 0.00 -3.62 -0.07 0.00 -1.53 0.00 0.00 36.38 31.16 3cob s VAL 1053CO 0.00 -0.20 1.24 -0.89 -3.33 0.00 0.00 175.10 171.91 3cob s THR 1054N -2.01 3.67 -0.23 5.04 2.01 -1.26 -5.00 115.64 117.85 3cob s THR 1054Ca 0.56 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.85 3cob s THR 1054Cb -0.10 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.62 3cob s THR 1054CO 0.17 0.15 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 3cob s VAL 1055N 0.54 2.35 -0.08 3.82 1.01 -1.26 -4.53 120.40 122.24 3cob s VAL 1055Ca 0.57 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3cob s VAL 1055Cb -0.32 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3cob s VAL 1055CO 0.33 0.22 0.53 -0.69 0.00 0.00 0.00 175.10 175.50 3cob s VAL 1056N 1.23 5.11 -0.39 2.92 1.01 0.18 -4.86 120.40 125.60 3cob s VAL 1056Ca -0.02 1.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 3cob s VAL 1056Cb -0.17 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3cob s VAL 1056CO -0.07 0.34 0.70 -0.44 0.00 0.00 0.00 175.10 175.62 3cob s SER 1057N 0.44 6.43 -0.32 3.32 0.01 -1.26 -0.12 113.70 122.19 3cob s SER 1057Ca 0.29 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 3cob s SER 1057Cb -0.16 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.73 3cob s SER 1057CO 0.13 -0.72 1.16 -0.63 0.41 0.00 0.00 173.24 173.58 3cob s ILE 1058N 2.93 4.36 -1.28 1.44 -1.09 0.50 -4.87 121.20 123.19 3cob s ILE 1058Ca 0.27 1.54 0.11 0.00 -2.23 0.00 0.00 60.65 60.34 3cob s ILE 1058Cb -0.14 -4.34 0.06 0.00 -1.58 0.00 0.00 42.46 36.46 3cob s ILE 1058CO 0.18 -0.52 0.80 -1.54 -1.23 0.00 0.00 174.94 172.62 3cob n SER 1059N 7.20 1.75 -3.66 3.58 3.41 -1.26 -4.27 113.62 120.36 3cob n SER 1059Ca 0.13 -1.37 -0.12 0.00 -0.26 0.00 0.00 58.87 57.25 3cob n SER 1059Cb 0.47 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 3cob n SER 1059CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cob s THR 1060N -1.05 0.06 0.39 6.66 -1.32 -1.26 -5.04 115.64 114.08 3cob s THR 1060Ca 0.12 -0.51 0.17 0.00 -1.21 0.00 0.00 61.69 60.25 3cob s THR 1060Cb 0.09 -1.02 0.16 0.00 -1.51 0.00 0.00 72.50 70.23 3cob s THR 1060CO 0.17 -0.28 1.92 0.22 -2.21 0.00 0.00 174.62 174.44 3cob h TYR 1061N 2.84 0.00 0.00 9.09 3.20 -2.00 -2.72 116.97 127.38 3cob h TYR 1061Ca -0.32 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.40 3cob h TYR 1061Cb 1.22 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 3cob h TYR 1061CO 0.39 0.26 -0.71 0.93 -1.64 0.00 0.00 178.16 177.39 3cob h GLU 1062N 0.00 0.00 -0.73 1.82 4.39 -1.98 -2.32 114.58 115.75 3cob h GLU 1062Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3cob h GLU 1062Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3cob h GLU 1062CO 0.03 0.71 0.35 1.49 -1.16 0.00 0.00 179.01 180.44 3cob h GLU 1063N 0.00 1.06 0.15 2.33 4.81 -1.89 -2.03 114.58 119.01 3cob h GLU 1063Ca -0.01 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3cob h GLU 1063Cb 1.33 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3cob h GLU 1063CO 0.09 0.84 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.07 3cob h LEU 1064N 1.03 -0.17 -1.27 1.64 3.38 -1.58 -2.83 115.31 115.52 3cob h LEU 1064Ca 0.25 -0.34 0.36 0.00 0.09 0.00 0.00 57.88 58.24 3cob h LEU 1064Cb 0.13 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 3cob h LEU 1064CO -0.03 0.30 0.71 0.11 0.09 0.00 0.00 178.44 179.62 3cob h LYS 1065N -0.69 0.22 0.11 1.13 1.57 -1.26 0.25 116.57 117.90 3cob h LYS 1065Ca -0.02 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.47 3cob h LYS 1065Cb 0.50 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.78 3cob h LYS 1065CO 0.03 0.15 -1.20 1.79 -0.57 0.00 0.00 179.45 179.65 3cob h THR 1066N 0.23 1.36 0.15 -0.16 1.35 -1.36 -2.27 112.91 112.22 3cob h THR 1066Ca 0.74 -2.63 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 3cob h THR 1066Cb 2.03 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 71.18 3cob h THR 1066CO -0.45 0.79 -0.07 0.40 -0.25 0.00 0.00 175.52 175.93 3cob h ILE 1067N 0.20 0.87 0.00 6.82 2.04 -0.34 -1.58 117.51 125.52 3cob h ILE 1067Ca -0.16 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3cob h ILE 1067Cb 1.88 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3cob h ILE 1067CO 0.22 0.01 -0.26 0.16 0.00 0.00 0.00 178.15 178.28 3cob h ILE 1068N -0.23 0.71 0.00 -0.67 -0.00 -1.17 -1.45 117.51 114.70 3cob h ILE 1068Ca -0.02 -1.13 -0.05 0.00 -0.00 0.00 0.00 64.86 63.66 3cob h ILE 1068Cb 0.18 1.72 -0.01 0.00 -0.00 0.00 0.00 36.82 38.71 3cob h ILE 1068CO 0.03 0.26 -0.24 -0.61 -0.00 0.00 0.00 178.15 177.59 3cob h GLN 1069N 0.00 0.00 0.37 0.16 5.75 -1.05 -0.42 115.11 119.93 3cob h GLN 1069Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3cob h GLN 1069Cb 0.70 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.25 3cob h GLN 1069CO 0.03 0.24 -0.18 -0.09 -2.65 0.00 0.00 178.83 176.18 3cob h ARG 1070N 0.00 -0.48 -0.97 1.69 2.43 -0.27 -1.00 114.38 115.78 3cob h ARG 1070Ca -0.00 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.40 3cob h ARG 1070Cb 0.68 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.25 3cob h ARG 1070CO 0.03 -0.32 0.62 0.78 -1.51 0.00 0.00 179.97 179.57 3cob h GLY 1071N -0.80 1.37 0.77 2.80 0.00 -1.42 0.71 103.07 106.50 3cob h GLY 1071Ca -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.01 3cob h GLY 1071CO 0.08 -0.04 -0.10 0.23 0.00 0.00 0.00 176.54 176.72 3cob h SER 1072N 0.60 -0.28 0.11 0.19 0.87 -1.02 -2.29 113.55 111.72 3cob h SER 1072Ca 0.54 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 61.04 3cob h SER 1072Cb 1.05 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3cob h SER 1072CO -0.29 -0.15 -0.34 -0.08 -0.53 0.00 0.00 176.83 175.45 3cob h GLU 1073N -0.18 0.34 0.00 2.24 4.81 0.72 -2.68 114.58 119.83 3cob h GLU 1073Ca 0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3cob h GLU 1073Cb 0.22 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3cob h GLU 1073CO -0.09 0.64 0.00 0.94 -0.73 0.00 0.00 179.01 179.77 3cob n GLN 1074N -4.08 0.11 -0.00 1.92 -0.06 0.22 -3.06 117.38 112.43 3cob n GLN 1074Ca -0.01 0.46 0.06 0.00 -2.00 0.00 0.00 57.00 55.51 3cob n GLN 1074Cb 0.44 -1.77 -0.08 0.00 -4.06 0.00 0.00 30.24 24.78 3cob n GLN 1074CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3cob n ARG 1075N -1.99 2.49 -1.76 3.69 5.12 -0.99 -4.75 116.66 118.47 3cob n ARG 1075Ca 0.01 -0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3cob n ARG 1075Cb 0.13 -1.14 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3cob n ARG 1075CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3cob s HIS 1076N -2.29 2.05 0.09 -1.55 5.65 -1.17 -4.90 115.29 113.17 3cob s HIS 1076Ca 0.04 -0.02 -0.30 0.00 0.25 0.00 0.00 55.06 55.03 3cob s HIS 1076Cb 0.10 -4.14 -0.06 0.00 -1.18 0.00 0.00 32.58 27.30 3cob s HIS 1076CO 0.54 -4.75 1.21 0.95 -0.65 0.00 0.00 174.74 172.04 3cob s THR 1077N 3.04 3.88 -0.23 0.89 -4.23 -1.26 -4.97 115.64 112.75 3cob s THR 1077Ca 0.80 1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 62.55 3cob s THR 1077Cb -0.44 -3.89 -0.10 0.00 1.34 0.00 0.00 72.50 69.41 3cob s THR 1077CO 0.36 0.14 -0.34 0.41 -0.54 0.00 0.00 174.62 174.65 3cob n THR 1078N 3.60 1.52 -0.53 3.99 -1.04 -1.26 -5.05 114.28 115.50 3cob n THR 1078Ca 0.08 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3cob n THR 1078Cb 0.46 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 3cob n THR 1078CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cob n GLY 1079N 1.35 1.94 0.00 3.41 0.00 -1.26 -5.07 105.19 105.56 3cob n GLY 1079Ca -0.37 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3cob n GLY 1079CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cob n THR 1080N 0.00 0.00 -2.47 2.61 -2.24 -1.26 -5.09 114.28 105.84 3cob n THR 1080Ca 0.00 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3cob n THR 1080Cb 0.00 1.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 3cob n THR 1080CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cob s LEU 1081N -0.09 4.49 0.44 3.22 1.43 -1.26 -4.92 118.68 121.99 3cob s LEU 1081Ca 0.00 2.26 0.30 0.00 -1.03 0.00 0.00 54.13 55.66 3cob s LEU 1081Cb 0.00 -3.70 1.54 0.00 0.03 0.00 0.00 46.19 44.06 3cob s LEU 1081CO 0.00 -0.21 1.91 0.24 0.23 0.00 0.00 176.35 178.53 3cob h MET 1082N 3.62 0.00 -0.52 1.70 2.86 -2.01 -2.84 114.93 117.74 3cob h MET 1082Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3cob h MET 1082Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3cob h MET 1082CO 0.66 0.00 0.00 0.27 1.06 0.00 0.00 176.91 178.90 3cob n ASN 1083N -2.58 2.79 -4.72 1.22 6.94 -1.26 -4.63 115.26 113.01 3cob n ASN 1083Ca -0.01 -2.12 -0.42 0.00 -0.02 0.00 0.00 54.58 52.00 3cob n ASN 1083Cb 0.10 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.12 3cob n ASN 1083CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3cob s GLU 1084N -1.54 4.33 0.30 -3.83 2.12 -1.07 -4.87 118.70 114.15 3cob s GLU 1084Ca 0.32 2.06 0.05 0.00 0.36 0.00 0.00 54.97 57.76 3cob s GLU 1084Cb 0.18 -3.25 0.81 0.00 0.26 0.00 0.00 34.13 32.14 3cob s GLU 1084CO 0.19 -0.42 1.63 0.37 -0.54 0.00 0.00 175.26 176.49 3cob h GLN 1085N 6.67 0.16 0.00 4.30 4.15 -1.93 0.34 115.11 128.80 3cob h GLN 1085Ca -0.42 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.99 3cob h GLN 1085Cb 1.21 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3cob h GLN 1085CO 0.85 0.11 0.00 0.66 -1.93 0.00 0.00 178.83 178.52 3cob h SER 1086N 0.17 0.00 0.22 -0.69 4.64 -1.90 -1.31 113.55 114.68 3cob h SER 1086Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3cob h SER 1086Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3cob h SER 1086CO -0.70 0.00 -1.51 -1.20 -0.87 0.00 0.00 176.83 172.55 3cob n SER 1087N -2.43 0.39 -0.00 4.97 7.64 0.11 -4.40 113.62 119.91 3cob n SER 1087Ca 0.01 -0.15 0.09 0.00 1.01 0.00 0.00 58.87 59.82 3cob n SER 1087Cb 0.18 1.39 -0.11 0.00 -1.01 0.00 0.00 64.21 64.65 3cob n SER 1087CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cob n ARG 1088N -2.14 0.80 -4.29 1.43 5.12 -0.84 -0.49 116.66 116.26 3cob n ARG 1088Ca -0.01 -0.04 -0.25 0.00 -1.93 0.00 0.00 57.85 55.62 3cob n ARG 1088Cb 0.50 -1.39 -0.08 0.00 -1.16 0.00 0.00 32.46 30.32 3cob n ARG 1088CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3cob s SER 1089N -3.06 4.36 -0.07 0.55 1.04 -0.55 -4.67 113.70 111.29 3cob s SER 1089Ca 0.04 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 3cob s SER 1089Cb 0.14 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 3cob s SER 1089CO 0.77 0.06 0.20 -1.00 0.98 0.00 0.00 173.24 174.25 3cob s HIS 1090N -1.96 3.61 -0.06 5.02 3.76 -0.62 -3.61 115.29 121.43 3cob s HIS 1090Ca 0.28 0.58 0.06 0.00 -0.15 0.00 0.00 55.06 55.83 3cob s HIS 1090Cb -0.08 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 3cob s HIS 1090CO 0.17 0.70 -0.25 -1.17 -0.85 0.00 0.00 174.74 173.34 3cob s LEU 1091N -1.23 2.06 -0.06 0.89 0.20 0.26 -1.26 118.68 119.54 3cob s LEU 1091Ca 0.19 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 3cob s LEU 1091Cb -0.13 -1.35 0.03 0.00 -0.43 0.00 0.00 46.19 44.31 3cob s LEU 1091CO 0.08 0.24 0.01 -0.63 -0.29 0.00 0.00 176.35 175.77 3cob s ILE 1092N -0.18 0.27 -0.11 6.68 1.01 -0.17 -1.12 121.20 127.59 3cob s ILE 1092Ca -0.03 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.82 3cob s ILE 1092Cb -0.13 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 3cob s ILE 1092CO 0.03 0.24 -0.14 0.54 0.00 0.00 0.00 174.94 175.61 3cob s VAL 1093N 2.00 2.97 -0.01 2.92 0.11 -1.00 -0.91 120.40 126.48 3cob s VAL 1093Ca 0.05 -0.71 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 3cob s VAL 1093Cb -0.12 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 3cob s VAL 1093CO -0.05 0.54 -0.14 -0.44 -3.33 0.00 0.00 175.10 171.68 3cob s SER 1094N 0.13 1.63 -0.21 3.54 0.01 -0.43 -1.11 113.70 117.25 3cob s SER 1094Ca -0.07 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3cob s SER 1094Cb -0.15 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 65.96 3cob s SER 1094CO 0.05 0.16 -0.07 -0.69 0.41 0.00 0.00 173.24 173.10 3cob s VAL 1095N -0.37 1.49 -0.05 3.43 1.01 1.00 -1.74 120.40 125.16 3cob s VAL 1095Ca 0.05 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 3cob s VAL 1095Cb -0.06 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3cob s VAL 1095CO -0.00 0.04 0.68 -0.63 0.00 0.00 0.00 175.10 175.19 3cob s ILE 1096N 1.44 5.02 -0.31 2.22 1.09 0.12 -0.91 121.20 129.87 3cob s ILE 1096Ca -0.03 1.41 -0.01 0.00 -1.10 0.00 0.00 60.65 60.92 3cob s ILE 1096Cb -0.17 -4.02 0.06 0.00 -1.06 0.00 0.00 42.46 37.27 3cob s ILE 1096CO -0.07 0.28 0.01 -0.63 -0.10 0.00 0.00 174.94 174.43 3cob s ILE 1097N 0.61 2.86 -0.24 2.92 1.01 -0.14 -2.13 121.20 126.09 3cob s ILE 1097Ca 0.36 -1.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 3cob s ILE 1097Cb -0.18 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 3cob s ILE 1097CO 0.18 -0.21 0.15 -0.70 0.00 0.00 0.00 174.94 174.36 3cob s GLU 1098N 1.19 4.01 -0.17 2.79 2.12 0.13 -1.05 118.70 127.72 3cob s GLU 1098Ca -0.03 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.01 3cob s GLU 1098Cb -0.20 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.71 3cob s GLU 1098CO -0.03 0.02 -0.13 -1.54 -0.54 0.00 0.00 175.26 173.05 3cob s SER 1099N 1.15 3.00 -0.25 -1.70 1.04 0.18 0.06 113.70 117.18 3cob s SER 1099Ca 0.07 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 3cob s SER 1099Cb -0.14 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 3cob s SER 1099CO 0.05 -0.09 0.33 -0.89 0.98 0.00 0.00 173.24 173.62 3cob s THR 1100N 1.43 5.23 -0.14 2.02 2.01 0.72 -0.99 115.64 125.92 3cob s THR 1100Ca 0.03 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 3cob s THR 1100Cb -0.14 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 3cob s THR 1100CO -0.10 0.22 1.98 0.21 -0.69 0.00 0.00 174.62 176.24 3cob s ASN 1101N 1.39 6.02 0.12 3.53 2.47 0.06 -1.29 114.94 127.24 3cob s ASN 1101Ca 0.14 2.06 0.07 0.00 0.42 0.00 0.00 52.86 55.55 3cob s ASN 1101Cb -0.15 -2.52 0.37 0.00 -1.45 0.00 0.00 41.25 37.49 3cob s ASN 1101CO 0.09 -1.49 1.13 0.18 -3.72 0.00 0.00 177.10 173.29 3cob n LEU 1102N 9.51 0.18 0.00 3.21 4.77 -0.56 0.09 117.00 134.20 3cob n LEU 1102Ca 0.24 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 3cob n LEU 1102Cb 0.44 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3cob n LEU 1102CO 0.66 -0.56 -0.43 0.00 -1.33 0.00 0.00 177.39 175.73 3cob n GLN 1103N -1.69 2.96 0.03 3.23 10.64 -1.26 -4.75 117.38 126.54 3cob n GLN 1103Ca -0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 3cob n GLN 1103Cb 0.13 -0.93 -0.08 0.00 -0.86 0.00 0.00 30.24 28.50 3cob n GLN 1103CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 3cob n THR 1104N -1.86 0.97 -1.26 -0.39 -1.04 -1.15 -4.95 114.28 104.60 3cob n THR 1104Ca 0.00 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.26 3cob n THR 1104Cb 0.43 -0.56 -0.04 0.00 -1.82 0.00 0.00 70.33 68.34 3cob n THR 1104CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cob n GLN 1105N -2.77 -0.71 -2.63 -2.82 1.13 0.11 -4.71 117.38 104.99 3cob n GLN 1105Ca -0.09 0.80 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 3cob n GLN 1105Cb 0.78 -4.70 -0.03 0.00 0.11 0.00 0.00 30.24 26.40 3cob n GLN 1105CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cob s ALA 1106N -2.30 3.23 -0.28 -1.58 0.00 -1.25 -3.68 121.76 115.89 3cob s ALA 1106Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3cob s ALA 1106Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3cob s ALA 1106CO 0.00 -0.26 0.34 0.42 0.00 0.00 0.00 175.76 176.26 3cob s ILE 1107N 0.88 5.19 -0.14 0.00 1.09 -0.34 -0.76 121.20 127.13 3cob s ILE 1107Ca 0.53 0.44 -0.04 0.00 -1.10 0.00 0.00 60.65 60.49 3cob s ILE 1107Cb -0.24 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 3cob s ILE 1107CO 0.29 0.14 -0.01 0.00 -0.10 0.00 0.00 174.94 175.26 3cob s ALA 1108N 2.02 3.13 -0.38 9.38 0.00 -0.17 0.06 121.76 135.81 3cob s ALA 1108Ca 0.13 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3cob s ALA 1108Cb -0.16 -1.59 0.12 0.00 0.00 0.00 0.00 23.12 21.50 3cob s ALA 1108CO 0.10 0.30 0.19 0.50 0.00 0.00 0.00 175.76 176.86 3cob s ARG 1109N 0.04 0.90 0.56 0.00 3.52 -0.32 0.50 118.95 124.16 3cob s ARG 1109Ca 0.02 -1.52 0.05 0.00 -0.13 0.00 0.00 55.73 54.15 3cob s ARG 1109Cb -0.13 -1.94 0.06 0.00 -1.56 0.00 0.00 34.95 31.39 3cob s ARG 1109CO 0.02 -1.12 0.77 0.20 -0.81 0.00 0.00 175.30 174.37 3cob s GLY 1110N 0.96 1.82 -0.01 8.12 0.00 -0.22 -4.60 107.32 113.38 3cob s GLY 1110Ca 0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 3cob s GLY 1110CO -0.08 -1.38 0.02 1.25 0.00 0.00 0.00 173.10 172.92 3cob s LYS 1111N -4.71 0.01 -0.18 2.90 2.20 -0.39 -0.97 119.74 118.61 3cob s LYS 1111Ca 0.60 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.29 3cob s LYS 1111Cb -0.08 -0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 3cob s LYS 1111CO 0.38 -0.04 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.98 3cob s LEU 1112N 0.25 2.20 -0.05 5.43 2.96 -0.08 0.10 118.68 129.49 3cob s LEU 1112Ca -0.02 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 3cob s LEU 1112Cb -0.03 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3cob s LEU 1112CO -0.01 -0.03 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.35 3cob s SER 1113N 1.30 1.34 -0.19 3.68 0.15 -0.34 -0.00 113.70 119.65 3cob s SER 1113Ca 0.03 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 3cob s SER 1113Cb -0.14 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 3cob s SER 1113CO -0.12 0.01 -0.06 -0.36 1.20 0.00 0.00 173.24 173.91 3cob s PHE 1114N 0.66 2.93 -0.27 3.44 0.40 -0.27 -1.01 117.98 123.87 3cob s PHE 1114Ca -0.11 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.44 3cob s PHE 1114Cb -0.14 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.40 3cob s PHE 1114CO 0.02 -0.37 -0.02 0.08 0.70 0.00 0.00 175.22 175.63 3cob s VAL 1115N 0.99 3.12 -0.49 -0.44 1.01 0.45 -2.39 120.40 122.65 3cob s VAL 1115Ca -0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 3cob s VAL 1115Cb -0.15 -2.62 0.09 0.00 0.00 0.00 0.00 36.38 33.70 3cob s VAL 1115CO 0.00 0.12 0.42 -0.62 0.00 0.00 0.00 175.10 175.02 3cob s ASP 1116N 1.35 6.12 0.72 3.32 -1.08 -0.27 -1.41 116.67 125.42 3cob s ASP 1116Ca -0.00 -1.51 -0.11 0.00 -0.52 0.00 0.00 52.55 50.40 3cob s ASP 1116Cb -0.17 -2.18 0.02 0.00 -1.46 0.00 0.00 42.92 39.13 3cob s ASP 1116CO -0.02 -0.71 1.08 -0.76 0.52 0.00 0.00 175.17 175.27 3cob s LEU 1117N 1.61 2.88 0.68 -1.34 1.43 -1.21 -0.58 118.68 122.15 3cob s LEU 1117Ca 0.04 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.29 3cob s LEU 1117Cb -0.26 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 41.89 3cob s LEU 1117CO 0.05 -1.48 1.08 0.00 0.23 0.00 0.00 176.35 176.23 3cob s ALA 1118N -3.23 2.52 0.33 4.21 0.00 -1.24 -4.82 121.76 119.52 3cob s ALA 1118Ca 0.58 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 3cob s ALA 1118Cb -0.12 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 3cob s ALA 1118CO 0.53 -1.28 1.09 0.41 0.00 0.00 0.00 175.76 176.51 3cob n GLY 1119N -1.04 -0.01 0.19 0.00 0.00 0.36 -4.76 105.19 99.93 3cob n GLY 1119Ca 0.09 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.53 3cob n GLY 1119CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cob h SER 1120N 2.07 0.00 -3.88 1.61 4.64 -1.42 -3.46 113.55 113.11 3cob h SER 1120Ca -0.42 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.38 3cob h SER 1120Cb 1.32 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.48 3cob h SER 1120CO 0.60 0.00 0.62 -1.83 -0.87 0.00 0.00 176.83 175.36 3cob s GLU 1121N -3.25 4.34 0.08 4.77 1.03 -1.26 -4.93 118.70 119.47 3cob s GLU 1121Ca 0.07 2.18 -0.30 0.00 0.03 0.00 0.00 54.97 56.95 3cob s GLU 1121Cb 0.08 -3.05 -0.06 0.00 -0.80 0.00 0.00 34.13 30.31 3cob s GLU 1121CO 0.62 -0.19 1.12 1.03 -1.33 0.00 0.00 175.26 176.51 3cob s ARG 1122N -1.82 4.51 -0.31 -4.83 3.00 -1.26 -5.00 118.95 113.23 3cob s ARG 1122Ca 0.49 1.67 -0.21 0.00 0.00 0.00 0.00 55.73 57.69 3cob s ARG 1122Cb -0.39 -3.35 -0.01 0.00 0.00 0.00 0.00 34.95 31.20 3cob s ARG 1122CO 0.52 -0.12 0.67 0.08 0.00 0.00 0.00 175.30 176.45 3cob s VAL 1123N 0.70 4.90 -0.09 3.52 1.01 -1.26 -5.05 120.40 124.13 3cob s VAL 1123Ca 0.55 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.46 3cob s VAL 1123Cb -0.27 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3cob s VAL 1123CO 0.30 -0.18 -0.09 -1.59 0.00 0.00 0.00 175.10 173.55 3cob s LYS 1124N 2.71 2.95 0.00 2.72 -2.85 -1.26 -4.72 119.74 119.28 3cob s LYS 1124Ca 0.27 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 3cob s LYS 1124Cb -0.15 -2.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 3cob s LYS 1124CO 0.12 0.52 0.27 1.63 0.10 0.00 0.00 175.35 177.99 3cob n LYS 1125N 2.65 1.80 -0.43 1.78 5.02 -1.26 -5.07 118.16 122.65 3cob n LYS 1125Ca -0.18 -0.27 -0.29 0.00 -2.02 0.00 0.00 58.31 55.55 3cob n LYS 1125Cb 0.53 -0.75 0.28 0.00 -0.02 0.00 0.00 35.03 35.06 3cob n LYS 1125CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3cob s SER 1126N -0.33 -0.15 -0.57 4.39 1.04 -1.26 -4.58 113.70 112.23 3cob s SER 1126Ca 0.00 1.20 0.06 0.00 0.48 0.00 0.00 55.95 57.69 3cob s SER 1126Cb 0.00 -1.81 0.20 0.00 0.10 0.00 0.00 66.02 64.52 3cob s SER 1126CO 0.00 -4.85 0.53 0.61 0.98 0.00 0.00 173.24 170.50 3cob n GLY 1127N 1.18 3.59 2.72 7.32 0.00 -1.26 -5.13 105.19 113.61 3cob n GLY 1127Ca 0.07 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 3cob n GLY 1127CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cob s SER 1128N -1.32 0.87 0.58 1.61 1.04 -1.26 -5.12 113.70 110.10 3cob s SER 1128Ca 0.32 0.04 -0.18 0.00 0.48 0.00 0.00 55.95 56.61 3cob s SER 1128Cb 0.06 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.93 3cob s SER 1128CO -0.13 -0.20 0.62 0.00 0.98 0.00 0.00 173.24 174.51 3cob n ALA 1129N 4.89 -0.87 0.00 5.32 0.00 -1.26 -4.67 120.51 123.92 3cob n ALA 1129Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3cob n ALA 1129Cb 0.50 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3cob n ALA 1129CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cob n GLY 1130N 1.68 0.07 0.00 0.00 0.00 -1.26 -4.86 105.19 100.82 3cob n GLY 1130Ca 0.12 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.55 3cob n GLY 1130CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cob n ASN 1131N 3.00 0.00 0.09 1.61 2.04 -1.26 -2.39 115.26 118.35 3cob n ASN 1131Ca 0.00 -0.93 -0.16 0.00 -0.44 0.00 0.00 54.58 53.05 3cob n ASN 1131Cb 0.00 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.15 3cob n ASN 1131CO 0.00 0.00 0.00 -0.61 -0.44 0.00 0.00 177.26 176.21 3cob h GLN 1132N 0.00 0.40 -0.04 -3.83 4.15 -1.89 -3.08 115.11 110.82 3cob h GLN 1132Ca 0.00 -0.54 -0.19 0.00 0.77 0.00 0.00 58.65 58.69 3cob h GLN 1132Cb 0.00 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3cob h GLN 1132CO 0.00 1.21 -0.78 1.25 -1.93 0.00 0.00 178.83 178.58 3cob h LEU 1133N 0.17 0.35 -0.15 -2.39 6.46 -1.74 -2.87 115.31 115.14 3cob h LEU 1133Ca -0.13 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3cob h LEU 1133Cb 1.82 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.64 3cob h LEU 1133CO 0.20 1.00 0.05 0.50 -0.62 0.00 0.00 178.44 179.57 3cob h LYS 1134N 0.18 0.23 -0.80 1.25 3.11 -1.60 -2.59 116.57 116.36 3cob h LYS 1134Ca -0.04 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.72 3cob h LYS 1134Cb 1.37 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 32.53 3cob h LYS 1134CO 0.13 0.36 0.38 1.49 -2.81 0.00 0.00 179.45 179.00 3cob h GLU 1135N 0.06 1.15 0.14 1.90 4.81 -1.58 -2.24 114.58 118.83 3cob h GLU 1135Ca 0.05 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3cob h GLU 1135Cb 0.23 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3cob h GLU 1135CO -0.00 0.88 -0.27 0.00 -0.73 0.00 0.00 179.01 178.89 3cob h ALA 1136N 1.28 -0.47 -0.26 2.92 0.00 -1.35 0.71 119.26 122.10 3cob h ALA 1136Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3cob h ALA 1136Cb 0.11 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3cob h ALA 1136CO -0.04 -0.81 -0.12 -0.56 0.00 0.00 0.00 179.25 177.73 3cob h GLN 1137N -0.49 0.42 0.07 0.00 3.07 -1.33 -2.89 115.11 113.95 3cob h GLN 1137Ca 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 3cob h GLN 1137Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.02 3cob h GLN 1137CO -0.14 0.54 -0.03 0.77 0.09 0.00 0.00 178.83 180.06 3cob h SER 1138N 0.39 -0.08 -0.75 0.06 0.02 -0.99 -3.08 113.55 109.12 3cob h SER 1138Ca 0.08 -0.22 0.15 0.00 -0.84 0.00 0.00 61.79 60.95 3cob h SER 1138Cb 0.45 0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.87 3cob h SER 1138CO 0.03 0.18 -0.21 0.40 -1.14 0.00 0.00 176.83 176.09 3cob h ILE 1139N -0.34 0.23 -0.45 3.27 2.04 -0.66 -0.78 117.51 120.82 3cob h ILE 1139Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3cob h ILE 1139Cb 0.30 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3cob h ILE 1139CO 0.02 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 177.71 3cob n ASN 1140N -5.49 4.33 -0.05 1.72 2.04 -1.18 -4.27 115.26 112.36 3cob n ASN 1140Ca 0.10 -2.60 -0.11 0.00 -0.44 0.00 0.00 54.58 51.54 3cob n ASN 1140Cb 0.39 -0.60 0.03 0.00 -2.53 0.00 0.00 39.78 37.06 3cob n ASN 1140CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3cob h LYS 1141N 3.03 0.73 -0.64 -3.83 3.64 -1.04 -1.85 116.57 116.62 3cob h LYS 1141Ca 0.00 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 3cob h LYS 1141Cb 1.49 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 3cob h LYS 1141CO 0.32 1.03 0.35 0.66 -2.27 0.00 0.00 179.45 179.54 3cob h SER 1142N 0.59 0.80 0.55 4.20 4.64 -1.75 0.17 113.55 122.74 3cob h SER 1142Ca 0.04 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 3cob h SER 1142Cb 1.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3cob h SER 1142CO 0.10 0.67 -0.50 -0.07 -0.87 0.00 0.00 176.83 176.15 3cob h LEU 1143N 0.88 0.00 -0.28 5.97 -0.00 -1.84 -0.15 115.31 119.89 3cob h LEU 1143Ca 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.01 3cob h LEU 1143Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3cob h LEU 1143CO -0.04 0.50 -0.21 -1.28 -0.00 0.00 0.00 178.44 177.41 3cob h SER 1144N 0.00 0.67 -0.44 -0.43 0.87 -0.61 -1.45 113.55 112.15 3cob h SER 1144Ca -0.00 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3cob h SER 1144Cb 0.91 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 3cob h SER 1144CO 0.06 0.98 0.12 0.00 -0.53 0.00 0.00 176.83 177.46 3cob h ALA 1145N 0.72 0.58 -0.92 6.23 0.00 -0.47 0.05 119.26 125.45 3cob h ALA 1145Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3cob h ALA 1145Cb 0.76 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3cob h ALA 1145CO 0.06 0.25 0.60 1.25 0.00 0.00 0.00 179.25 181.41 3cob h LEU 1146N 0.58 0.96 -0.61 0.00 5.85 -0.96 -0.03 115.31 121.10 3cob h LEU 1146Ca 0.14 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3cob h LEU 1146Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3cob h LEU 1146CO -0.00 0.63 0.01 1.23 -0.34 0.00 0.00 178.44 179.97 3cob h GLY 1147N 1.10 1.16 0.93 3.75 0.00 -0.65 -1.80 103.07 107.56 3cob h GLY 1147Ca 0.38 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3cob h GLY 1147CO -0.13 0.78 0.17 -0.55 0.00 0.00 0.00 176.54 176.81 3cob h ASP 1148N 0.97 0.28 -0.16 0.19 3.32 0.67 -0.14 116.42 121.56 3cob h ASP 1148Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3cob h ASP 1148Cb 0.55 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3cob h ASP 1148CO 0.03 0.20 0.07 0.58 -1.72 0.00 0.00 179.24 178.41 3cob h VAL 1149N 0.35 1.13 -0.50 -1.35 2.07 -0.97 -0.31 116.25 116.68 3cob h VAL 1149Ca 0.12 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3cob h VAL 1149Cb -0.00 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3cob h VAL 1149CO -0.06 0.12 0.23 0.40 0.02 0.00 0.00 177.57 178.29 3cob h ILE 1150N 0.12 0.91 -0.26 4.57 2.04 -1.12 0.05 117.51 123.82 3cob h ILE 1150Ca 0.05 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3cob h ILE 1150Cb 0.13 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3cob h ILE 1150CO -0.01 0.08 0.10 0.28 0.00 0.00 0.00 178.15 178.61 3cob h SER 1151N 0.45 0.36 -0.39 1.72 0.02 -0.86 0.13 113.55 114.99 3cob h SER 1151Ca 0.23 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3cob h SER 1151Cb 0.18 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3cob h SER 1151CO -0.19 0.43 0.25 0.00 -1.14 0.00 0.00 176.83 176.19 3cob h ALA 1152N 0.94 0.49 -0.21 3.77 0.00 -0.64 0.37 119.26 123.98 3cob h ALA 1152Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3cob h ALA 1152Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cob h ALA 1152CO -0.01 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.08 3cob h LEU 1153N 0.52 0.40 -1.76 0.00 3.38 -0.90 0.44 115.31 117.40 3cob h LEU 1153Ca 0.14 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3cob h LEU 1153Cb -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3cob h LEU 1153CO -0.03 0.66 -0.13 -1.28 0.09 0.00 0.00 178.44 177.75 3cob h SER 1154N 0.13 0.00 0.35 -0.43 0.87 -0.60 -1.68 113.55 112.19 3cob h SER 1154Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3cob h SER 1154Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3cob h SER 1154CO 0.02 0.13 -0.14 -1.20 -0.53 0.00 0.00 176.83 175.11 3cob n SER 1155N -4.30 0.58 0.00 6.23 7.64 0.11 -4.93 113.62 118.95 3cob n SER 1155Ca -0.03 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3cob n SER 1155Cb 0.21 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3cob n SER 1155CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cob n GLY 1156N 1.30 0.49 3.52 0.23 0.00 -0.63 -5.03 105.19 105.07 3cob n GLY 1156Ca 0.14 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3cob n GLY 1156CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cob n ASN 1157N 0.52 -1.01 -0.09 1.61 5.03 0.10 -4.96 115.26 116.46 3cob n ASN 1157Ca 0.00 0.25 -0.13 0.00 0.87 0.00 0.00 54.58 55.58 3cob n ASN 1157Cb 0.00 -1.31 -0.15 0.00 -1.02 0.00 0.00 39.78 37.30 3cob n ASN 1157CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3cob n GLN 1158N -3.34 0.68 -3.37 3.52 -0.06 -1.26 -4.81 117.38 108.74 3cob n GLN 1158Ca 0.08 0.09 -0.43 0.00 -2.00 0.00 0.00 57.00 54.74 3cob n GLN 1158Cb 0.54 -1.57 -0.09 0.00 -4.06 0.00 0.00 30.24 25.06 3cob n GLN 1158CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3cob s HIS 1159N -2.52 3.19 -0.30 3.69 2.46 -1.26 -4.49 115.29 116.06 3cob s HIS 1159Ca -0.17 -0.40 -0.11 0.00 0.47 0.00 0.00 55.06 54.86 3cob s HIS 1159Cb 0.07 -2.79 -0.02 0.00 -0.13 0.00 0.00 32.58 29.71 3cob s HIS 1159CO 0.76 -0.64 0.18 0.42 -2.47 0.00 0.00 174.74 172.99 3cob s ILE 1160N 2.00 4.96 -0.93 0.89 -1.09 -1.16 -4.94 121.20 120.94 3cob s ILE 1160Ca 0.10 -0.18 -0.13 0.00 -2.23 0.00 0.00 60.65 58.22 3cob s ILE 1160Cb -0.17 -3.47 -0.09 0.00 -1.58 0.00 0.00 42.46 37.15 3cob s ILE 1160CO 0.12 0.12 2.08 -0.81 -1.23 0.00 0.00 174.94 175.23 3cob n PRO 1161N 5.03 1.98 -0.10 2.79 -0.04 -1.26 -4.21 135.00 139.19 3cob n PRO 1161Ca -0.14 -1.72 -0.12 0.00 -0.04 0.00 0.00 63.50 61.48 3cob n PRO 1161Cb 0.50 -2.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 3cob n PRO 1161CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3cob h TYR 1162N 6.86 0.62 0.00 0.54 0.05 -1.88 -3.12 116.97 120.04 3cob h TYR 1162Ca 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 59.14 3cob h TYR 1162Cb 0.40 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3cob h TYR 1162CO 1.64 0.75 0.00 0.54 -1.05 0.00 0.00 178.16 180.04 3cob n ARG 1163N -4.50 0.30 0.25 4.88 1.74 -1.26 -3.19 116.66 114.88 3cob n ARG 1163Ca -0.03 0.02 0.17 0.00 -0.77 0.00 0.00 57.85 57.24 3cob n ARG 1163Cb 0.31 -1.50 0.81 0.00 -1.02 0.00 0.00 32.46 31.06 3cob n ARG 1163CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3cob h ASN 1164N 0.00 0.00 -4.07 0.55 4.21 -1.93 -3.45 115.58 110.89 3cob h ASN 1164Ca 0.00 0.00 0.11 0.00 1.21 0.00 0.00 56.30 57.62 3cob h ASN 1164Cb 0.01 0.00 -0.22 0.00 -1.12 0.00 0.00 38.32 36.98 3cob h ASN 1164CO 0.00 0.00 0.60 -2.28 -1.29 0.00 0.00 177.43 174.46 3cob s HIS 1165N -3.74 -0.32 0.40 1.19 2.46 -1.19 -4.98 115.29 109.11 3cob s HIS 1165Ca -0.01 0.50 0.09 0.00 0.47 0.00 0.00 55.06 56.11 3cob s HIS 1165Cb 0.10 0.47 0.88 0.00 -0.13 0.00 0.00 32.58 33.90 3cob s HIS 1165CO 0.42 -0.32 1.98 0.87 -2.47 0.00 0.00 174.74 175.22 3cob h LYS 1166N 2.42 0.56 0.08 2.88 1.57 -1.86 -2.28 116.57 119.94 3cob h LYS 1166Ca -0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3cob h LYS 1166Cb 1.17 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 3cob h LYS 1166CO 0.30 0.37 -0.06 1.25 -0.57 0.00 0.00 179.45 180.73 3cob h LEU 1167N 0.57 -0.16 -1.96 2.94 5.85 -1.92 0.88 115.31 121.52 3cob h LEU 1167Ca 0.27 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3cob h LEU 1167Cb 0.33 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3cob h LEU 1167CO -0.08 -0.10 -0.11 0.71 -0.34 0.00 0.00 178.44 178.52 3cob h THR 1168N -0.15 0.71 -0.05 1.05 1.35 -1.64 -0.28 112.91 113.90 3cob h THR 1168Ca -0.00 -0.44 -0.13 0.00 -0.55 0.00 0.00 66.41 65.29 3cob h THR 1168Cb 0.13 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3cob h THR 1168CO -0.01 0.11 -0.47 0.24 -0.25 0.00 0.00 175.52 175.14 3cob h MET 1169N 0.00 0.41 -0.80 4.72 2.86 -0.90 -0.97 114.93 120.26 3cob h MET 1169Ca -0.00 -0.37 0.08 0.00 -2.06 0.00 0.00 59.70 57.34 3cob h MET 1169Cb 0.26 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3cob h MET 1169CO 0.01 1.02 0.52 -0.07 1.06 0.00 0.00 176.91 179.46 3cob h LEU 1170N -0.07 0.72 -3.77 1.22 -0.00 0.19 -1.10 115.31 112.50 3cob h LEU 1170Ca -0.04 0.01 -0.34 0.00 -0.00 0.00 0.00 57.88 57.51 3cob h LEU 1170Cb 1.15 -0.14 -0.20 0.00 -0.00 0.00 0.00 40.66 41.47 3cob h LEU 1170CO 0.10 0.45 0.37 0.23 -0.00 0.00 0.00 178.44 179.58 3cob n MET 1171N -4.49 2.71 0.20 1.13 2.81 -0.21 -4.51 117.12 114.75 3cob n MET 1171Ca 0.12 -3.06 0.14 0.00 -1.81 0.00 0.00 57.70 53.10 3cob n MET 1171Cb 0.26 -2.12 0.57 0.00 -0.71 0.00 0.00 33.22 31.23 3cob n MET 1171CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3cob h SER 1172N 1.60 0.00 0.03 7.83 4.64 0.18 -2.57 113.55 125.26 3cob h SER 1172Ca 0.41 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.36 3cob h SER 1172Cb 2.42 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.45 3cob h SER 1172CO 0.82 0.00 -2.36 -0.90 -0.87 0.00 0.00 176.83 173.52 3cob n ASP 1173N -2.66 0.50 0.06 4.97 5.75 -1.26 -3.54 116.55 120.36 3cob n ASP 1173Ca 0.02 -0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.76 3cob n ASP 1173Cb 0.28 0.62 0.21 0.00 -1.03 0.00 0.00 41.12 41.20 3cob n ASP 1173CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3cob h SER 1174N 0.00 0.37 -4.03 -1.12 0.02 -1.84 -1.94 113.55 105.01 3cob h SER 1174Ca -0.54 -0.14 -0.71 0.00 -0.84 0.00 0.00 61.79 59.55 3cob h SER 1174Cb 2.16 -0.10 -0.33 0.00 0.14 0.00 0.00 62.40 64.26 3cob h SER 1174CO 0.01 0.70 -0.29 -0.76 -1.14 0.00 0.00 176.83 175.34 3cob s LEU 1175N -8.45 5.51 0.00 5.07 1.02 -0.98 -4.60 118.68 116.26 3cob s LEU 1175Ca -0.06 -2.76 0.00 0.00 0.02 0.00 0.00 54.13 51.33 3cob s LEU 1175Cb 0.13 -1.92 0.00 0.00 0.02 0.00 0.00 46.19 44.42 3cob s LEU 1175CO 0.78 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 177.34 3cob n GLY 1176N 3.66 1.11 0.00 -3.19 0.00 -1.26 -4.83 105.19 100.68 3cob n GLY 1176Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3cob n GLY 1176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cob n GLY 1177N -2.00 1.59 3.43 -0.02 0.00 -0.73 -4.57 105.19 102.88 3cob n GLY 1177Ca 0.00 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 3cob n GLY 1177CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cob s ASN 1178N -1.00 6.94 -0.11 1.61 2.47 -1.20 -2.62 114.94 121.03 3cob s ASN 1178Ca 0.00 -2.76 -0.31 0.00 0.42 0.00 0.00 52.86 50.22 3cob s ASN 1178Cb 0.00 -2.36 0.12 0.00 -1.45 0.00 0.00 41.25 37.57 3cob s ASN 1178CO 0.00 -0.77 1.01 0.00 -3.72 0.00 0.00 177.10 173.63 3cob s ALA 1179N 1.41 -1.93 -0.40 1.71 0.00 -1.24 -4.62 121.76 116.69 3cob s ALA 1179Ca 0.36 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 3cob s ALA 1179Cb -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3cob s ALA 1179CO -0.05 -0.50 0.31 0.15 0.00 0.00 0.00 175.76 175.67 3cob s LYS 1180N -2.12 3.08 -0.05 0.00 1.02 0.09 -4.37 119.74 117.39 3cob s LYS 1180Ca 0.03 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.13 3cob s LYS 1180Cb -0.01 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 3cob s LYS 1180CO -0.04 -0.71 -0.12 0.99 -0.92 0.00 0.00 175.35 174.55 3cob s THR 1181N 1.75 3.29 -0.09 2.17 2.01 -1.26 -1.29 115.64 122.22 3cob s THR 1181Ca 0.06 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3cob s THR 1181Cb -0.18 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.02 3cob s THR 1181CO 0.11 0.57 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.25 3cob s LEU 1182N -0.82 1.66 -0.12 4.42 2.96 -0.23 -2.49 118.68 124.06 3cob s LEU 1182Ca 0.12 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3cob s LEU 1182Cb -0.11 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3cob s LEU 1182CO 0.01 0.02 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.64 3cob s MET 1183N 0.86 3.25 -0.21 1.98 -2.45 0.53 -1.99 119.30 121.28 3cob s MET 1183Ca -0.10 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.62 3cob s MET 1183Cb -0.15 -2.65 -0.04 0.00 1.25 0.00 0.00 34.83 33.24 3cob s MET 1183CO 0.01 0.32 0.09 -0.06 1.05 0.00 0.00 175.02 176.43 3cob s PHE 1184N 0.08 3.22 -0.33 4.11 0.40 0.58 -0.36 117.98 125.69 3cob s PHE 1184Ca -0.04 -0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 3cob s PHE 1184Cb -0.14 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.25 3cob s PHE 1184CO 0.04 0.01 0.13 0.54 0.70 0.00 0.00 175.22 176.64 3cob s VAL 1185N 0.82 4.14 -0.01 -0.44 0.11 0.36 0.29 120.40 125.66 3cob s VAL 1185Ca 0.04 -0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 3cob s VAL 1185Cb -0.13 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.42 3cob s VAL 1185CO 0.02 -0.08 0.50 0.20 -3.33 0.00 0.00 175.10 172.41 3cob s ASN 1186N 1.50 6.87 0.03 3.54 -0.87 0.72 -1.98 114.94 124.74 3cob s ASN 1186Ca 0.01 1.03 0.04 0.00 -1.57 0.00 0.00 52.86 52.38 3cob s ASN 1186Cb -0.18 -2.31 -0.02 0.00 -0.02 0.00 0.00 41.25 38.72 3cob s ASN 1186CO 0.04 0.19 -0.12 -0.63 -2.57 0.00 0.00 177.10 174.00 3cob s ILE 1187N -0.47 0.97 -0.06 0.60 -1.09 -0.91 -4.29 121.20 115.95 3cob s ILE 1187Ca 0.27 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.70 3cob s ILE 1187Cb -0.17 -0.88 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 3cob s ILE 1187CO 0.15 0.01 0.29 -0.55 -1.23 0.00 0.00 174.94 173.61 3cob s SER 1188N -0.98 6.61 0.23 3.58 0.15 -1.26 -3.34 113.70 118.69 3cob s SER 1188Ca 0.01 0.73 0.26 0.00 0.70 0.00 0.00 55.95 57.64 3cob s SER 1188Cb -0.07 -2.17 0.72 0.00 -1.71 0.00 0.00 66.02 62.79 3cob s SER 1188CO 0.01 0.33 1.73 1.55 1.20 0.00 0.00 173.24 178.06 3cob h PRO 1189N 5.01 0.00 -6.50 5.44 0.13 -1.90 -3.46 132.00 130.72 3cob h PRO 1189Ca -0.52 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.00 3cob h PRO 1189Cb 1.22 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.44 3cob h PRO 1189CO 0.62 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.75 3cob n ALA 1190N -1.83 0.21 -0.05 -0.56 0.00 -1.26 0.15 120.51 117.17 3cob n ALA 1190Ca 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 3cob n ALA 1190Cb 0.44 -2.13 0.15 0.00 0.00 0.00 0.00 19.45 17.91 3cob n ALA 1190CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3cob h GLU 1191N 3.18 0.67 0.00 0.00 4.81 -1.82 -2.48 114.58 118.94 3cob h GLU 1191Ca -0.43 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3cob h GLU 1191Cb 1.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3cob h GLU 1191CO 0.68 0.81 0.00 -1.13 -0.73 0.00 0.00 179.01 178.65 3cob n SER 1192N -4.14 0.44 -1.08 1.04 3.41 -1.26 -1.16 113.62 110.87 3cob n SER 1192Ca 0.00 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 3cob n SER 1192Cb 0.39 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 63.81 3cob n SER 1192CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cob n ASN 1193N -2.07 3.41 -0.34 4.04 3.02 -0.93 -4.62 115.26 117.77 3cob n ASN 1193Ca -0.01 -1.96 0.15 0.00 -0.03 0.00 0.00 54.58 52.74 3cob n ASN 1193Cb 0.06 -0.29 0.35 0.00 -0.61 0.00 0.00 39.78 39.29 3cob n ASN 1193CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3cob h LEU 1194N 3.91 0.64 0.27 3.41 3.38 -1.21 0.64 115.31 126.35 3cob h LEU 1194Ca 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3cob h LEU 1194Cb 0.91 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3cob h LEU 1194CO 0.00 0.13 -0.13 0.44 0.09 0.00 0.00 178.44 178.97 3cob h ASP 1195N 0.60 -0.31 -0.26 -0.43 3.32 -1.83 -1.50 116.42 116.00 3cob h ASP 1195Ca 0.61 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.62 3cob h ASP 1195Cb 1.09 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3cob h ASP 1195CO -0.46 -0.18 0.14 -0.33 -1.72 0.00 0.00 179.24 176.69 3cob h GLU 1196N -0.42 0.37 -0.76 3.56 4.39 -1.69 -1.92 114.58 118.12 3cob h GLU 1196Ca -0.04 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.79 3cob h GLU 1196Cb 0.32 -0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 28.78 3cob h GLU 1196CO 0.06 0.34 0.10 1.15 -1.16 0.00 0.00 179.01 179.50 3cob h THR 1197N 0.31 0.41 -0.29 1.13 2.02 -0.77 0.21 112.91 115.92 3cob h THR 1197Ca 0.09 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 3cob h THR 1197Cb 0.09 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3cob h THR 1197CO -0.01 0.03 -0.22 -0.74 0.37 0.00 0.00 175.52 174.95 3cob h HIS 1198N 0.18 0.61 0.20 3.16 -0.00 -0.94 0.90 115.15 119.25 3cob h HIS 1198Ca 0.43 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3cob h HIS 1198Cb 0.76 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3cob h HIS 1198CO -0.34 0.73 -0.10 -0.91 -0.00 0.00 0.00 177.93 177.31 3cob h ASN 1199N 0.49 -0.23 0.27 3.26 2.35 0.07 -1.22 115.58 120.56 3cob h ASN 1199Ca 0.07 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3cob h ASN 1199Cb 0.65 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3cob h ASN 1199CO 0.05 -0.01 -0.35 0.28 -1.65 0.00 0.00 177.43 175.75 3cob h SER 1200N -0.45 -0.98 -0.89 5.81 0.02 -0.63 -1.64 113.55 114.79 3cob h SER 1200Ca -0.03 0.09 0.19 0.00 -0.84 0.00 0.00 61.79 61.21 3cob h SER 1200Cb 0.34 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 3cob h SER 1200CO 0.05 -0.47 0.59 -0.07 -1.14 0.00 0.00 176.83 175.78 3cob h LEU 1201N -0.67 0.45 0.20 5.07 3.38 -0.83 0.02 115.31 122.94 3cob h LEU 1201Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3cob h LEU 1201Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3cob h LEU 1201CO -0.12 0.19 -0.10 0.74 0.09 0.00 0.00 178.44 179.25 3cob h THR 1202N 0.46 0.88 -0.73 0.22 2.02 -0.33 -1.61 112.91 113.82 3cob h THR 1202Ca 0.46 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 3cob h THR 1202Cb 1.08 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3cob h THR 1202CO -0.19 0.10 0.26 1.88 0.37 0.00 0.00 175.52 177.94 3cob h TYR 1203N -0.47 1.14 -0.32 3.16 0.99 -0.51 -2.77 116.97 118.19 3cob h TYR 1203Ca -0.03 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.64 3cob h TYR 1203Cb 0.36 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 37.72 3cob h TYR 1203CO -0.00 0.88 0.11 0.00 -0.00 0.00 0.00 178.16 179.15 3cob h ALA 1204N 1.13 0.36 -0.50 3.88 0.00 -0.93 -1.32 119.26 121.89 3cob h ALA 1204Ca 0.24 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3cob h ALA 1204Cb 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3cob h ALA 1204CO -0.01 -0.29 0.33 0.77 0.00 0.00 0.00 179.25 180.04 3cob h SER 1205N 0.25 0.46 -0.13 0.00 0.02 -1.16 -1.86 113.55 111.12 3cob h SER 1205Ca 0.14 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3cob h SER 1205Cb 0.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3cob h SER 1205CO -0.15 0.32 -0.35 0.03 -1.14 0.00 0.00 176.83 175.54 3cob h ARG 1206N 0.53 0.64 -0.05 3.45 3.08 -0.99 -2.97 114.38 118.07 3cob h ARG 1206Ca 0.20 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3cob h ARG 1206Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3cob h ARG 1206CO -0.05 0.89 -0.30 0.28 -1.07 0.00 0.00 179.97 179.73 3cob h VAL 1207N 0.54 1.24 0.00 2.04 2.07 -0.49 -2.29 116.25 119.35 3cob h VAL 1207Ca 0.06 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3cob h VAL 1207Cb 0.85 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3cob h VAL 1207CO 0.07 0.33 -0.06 0.03 0.02 0.00 0.00 177.57 177.96 3cob h ARG 1208N 0.09 0.00 0.00 1.57 3.08 -1.29 -1.43 114.38 116.40 3cob h ARG 1208Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3cob h ARG 1208Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3cob h ARG 1208CO 0.04 0.06 -0.06 -1.13 -1.07 0.00 0.00 179.97 177.81 3cob n SER 1209N -3.92 0.54 -4.72 7.04 3.41 -0.86 -4.45 113.62 110.65 3cob n SER 1209Ca -0.03 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 3cob n SER 1209Cb 0.15 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3cob n SER 1209CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cob s ILE 1210N -3.07 3.71 -0.23 -1.33 1.01 -0.54 -4.91 121.20 115.84 3cob s ILE 1210Ca 0.11 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 3cob s ILE 1210Cb 0.15 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.79 3cob s ILE 1210CO 0.59 0.15 -0.07 -0.69 0.00 0.00 0.00 174.94 174.92 3cob s VAL 1211N 0.57 2.97 0.61 2.92 1.01 -1.26 -1.69 120.40 125.54 3cob s VAL 1211Ca 0.57 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3cob s VAL 1211Cb -0.32 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3cob s VAL 1211CO 0.33 0.31 0.86 0.20 0.00 0.00 0.00 175.10 176.79 3cob s ASN 1212N 1.38 5.07 -0.58 3.32 -0.87 -0.36 -4.74 114.94 118.16 3cob s ASN 1212Ca 0.03 0.10 0.06 0.00 -1.57 0.00 0.00 52.86 51.47 3cob s ASN 1212Cb -0.15 -0.87 0.23 0.00 -0.02 0.00 0.00 41.25 40.43 3cob s ASN 1212CO -0.05 -1.33 0.63 -0.67 -2.57 0.00 0.00 177.10 173.11 3cob n ASP 1213N -2.55 2.54 -4.78 -1.22 2.03 -1.08 -3.53 116.55 107.97 3cob n ASP 1213Ca 0.08 -3.17 -0.37 0.00 0.52 0.00 0.00 54.79 51.86 3cob n ASP 1213Cb 0.60 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 3cob n ASP 1213CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3cob s PRO 1214N -1.86 4.09 -0.08 -0.67 0.04 -1.26 -4.34 135.00 130.92 3cob s PRO 1214Ca 0.36 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 3cob s PRO 1214Cb 0.12 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3cob s PRO 1214CO -0.07 -0.22 0.22 0.45 0.04 0.00 0.00 177.00 177.42 3cob s SER 1215N -1.48 -0.22 0.24 6.66 0.15 -1.26 -4.94 113.70 112.85 3cob s SER 1215Ca 0.58 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 57.37 3cob s SER 1215Cb -0.24 0.44 -0.10 0.00 -1.71 0.00 0.00 66.02 64.42 3cob s SER 1215CO 0.30 -0.08 1.40 -0.54 1.20 0.00 0.00 173.24 175.51 3cob s LYS 1216N 0.09 4.31 -0.58 5.44 1.02 -1.26 -4.61 119.74 124.14 3cob s LYS 1216Ca -0.00 2.23 -0.18 0.00 0.02 0.00 0.00 55.97 58.03 3cob s LYS 1216Cb -0.02 -3.13 0.11 0.00 -0.52 0.00 0.00 37.83 34.27 3cob s LYS 1216CO 0.00 -0.36 0.66 1.21 -0.92 0.00 0.00 175.35 175.95 3cob s ASN 1217N 0.28 6.19 0.09 2.83 2.47 -0.51 -4.97 114.94 121.31 3cob s ASN 1217Ca 0.58 -1.47 0.03 0.00 0.42 0.00 0.00 52.86 52.42 3cob s ASN 1217Cb -0.40 -2.28 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 3cob s ASN 1217CO 0.43 -1.05 -0.09 0.68 -3.72 0.00 0.00 177.10 173.35 3cob s VAL 1218N 2.48 0.80 0.25 -5.21 -7.23 -1.26 -1.17 120.40 109.06 3cob s VAL 1218Ca 0.10 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 3cob s VAL 1218Cb -0.25 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3cob s VAL 1218CO 0.06 -0.60 0.23 -0.44 -0.31 0.00 0.00 175.10 174.05 3cob s SER 1219N -2.41 0.61 0.53 4.85 0.01 0.11 -4.98 113.70 112.42 3cob s SER 1219Ca 0.04 -1.45 0.05 0.00 1.31 0.00 0.00 55.95 55.89 3cob s SER 1219Cb -0.02 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.71 3cob s SER 1219CO -0.01 -0.97 0.33 -0.94 0.41 0.00 0.00 173.24 172.06 3cob s SER 1220N -3.21 4.55 0.03 2.44 1.04 -1.26 -1.19 113.70 116.09 3cob s SER 1220Ca 0.37 -1.31 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 3cob s SER 1220Cb 0.04 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3cob s SER 1220CO 0.17 -1.05 1.15 0.11 0.98 0.00 0.00 173.24 174.60 3cob h LYS 1221N 0.87 -0.18 -0.99 4.02 1.57 -1.84 -1.11 116.57 118.91 3cob h LYS 1221Ca -0.38 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.54 3cob h LYS 1221Cb 1.30 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 3cob h LYS 1221CO 0.60 -0.12 -0.45 0.39 -0.57 0.00 0.00 179.45 179.30 3cob n GLU 1222N -3.34 -0.30 0.33 3.15 4.71 -1.26 0.56 120.64 124.49 3cob n GLU 1222Ca -0.02 1.51 -0.17 0.00 -0.01 0.00 0.00 57.16 58.48 3cob n GLU 1222Cb 0.11 -2.24 -0.09 0.00 -1.01 0.00 0.00 31.44 28.21 3cob n GLU 1222CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3cob h VAL 1223N 0.00 0.37 0.02 2.62 2.07 -1.93 -1.35 116.25 118.05 3cob h VAL 1223Ca 0.28 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.70 3cob h VAL 1223Cb 0.53 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3cob h VAL 1223CO -0.97 0.02 -0.22 0.00 0.02 0.00 0.00 177.57 176.42 3cob h ALA 1224N -0.56 -0.30 -0.74 1.67 0.00 -0.62 0.40 119.26 119.11 3cob h ALA 1224Ca -0.08 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3cob h ALA 1224Cb 0.66 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 3cob h ALA 1224CO 0.14 -0.72 -0.53 -0.09 0.00 0.00 0.00 179.25 178.04 3cob h ARG 1225N -0.36 -0.16 -0.36 0.00 9.65 0.13 0.13 114.38 123.42 3cob h ARG 1225Ca 0.06 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 3cob h ARG 1225Cb 0.43 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 3cob h ARG 1225CO -0.19 -0.11 -0.05 -0.07 2.80 0.00 0.00 179.97 182.36 3cob h LEU 1226N -0.16 0.55 -1.54 3.80 4.07 -0.88 -2.62 115.31 118.54 3cob h LEU 1226Ca 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3cob h LEU 1226Cb 0.51 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3cob h LEU 1226CO -0.79 0.66 0.31 0.50 -1.08 0.00 0.00 178.44 178.03 3cob h LYS 1227N 0.55 0.62 0.00 1.13 1.63 0.24 -0.69 116.57 120.05 3cob h LYS 1227Ca 0.11 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.72 3cob h LYS 1227Cb 0.42 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 3cob h LYS 1227CO 0.02 0.41 -0.74 -0.22 -3.45 0.00 0.00 179.45 175.47 3cob h LYS 1228N 0.64 0.00 0.00 1.90 3.64 -0.74 -3.07 116.57 118.93 3cob h LYS 1228Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3cob h LYS 1228Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3cob h LYS 1228CO -0.04 0.74 0.00 1.28 -2.27 0.00 0.00 179.45 179.16 3cob n LEU 1229N -3.61 0.00 -3.45 5.20 4.77 -0.34 -4.12 117.00 115.45 3cob n LEU 1229Ca -0.01 0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 56.11 3cob n LEU 1229Cb 0.73 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3cob n LEU 1229CO 0.43 -0.05 2.33 1.33 -1.33 0.00 0.00 177.39 180.11 3cob n VAL 1230N -1.49 2.35 0.02 4.08 0.24 -0.75 -3.70 118.33 119.08 3cob n VAL 1230Ca 0.07 -1.74 -0.02 0.00 -2.04 0.00 0.00 64.34 60.61 3cob n VAL 1230Cb 0.30 -2.30 -0.01 0.00 -1.47 0.00 0.00 33.84 30.37 3cob n VAL 1230CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3cob n SER 1231N 5.93 1.14 -4.94 -1.34 2.88 -1.26 -5.08 113.62 110.96 3cob n SER 1231Ca 0.49 0.16 -0.24 0.00 -1.33 0.00 0.00 58.87 57.95 3cob n SER 1231Cb 0.29 -0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.37 3cob n SER 1231CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3cob s TYR 1232N -2.14 3.48 0.00 0.66 -0.85 -1.24 -5.25 117.35 112.00 3cob s TYR 1232Ca -0.05 0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 3cob s TYR 1232Cb 0.01 -1.99 0.00 0.00 0.38 0.00 0.00 41.96 40.36 3cob s TYR 1232CO 0.07 0.02 0.00 0.91 -1.52 0.00 0.00 175.55 175.03 3cob n TRP 1233N -1.88 0.00 0.00 -3.49 8.01 -1.26 -5.19 117.44 113.63 3cob n TRP 1233Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3cob n TRP 1233Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 3cob n TRP 1233CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3cob n GLU 1245N 0.00 0.00 -1.50 -0.99 0.00 -1.26 -5.35 120.64 111.54 3cob n GLU 1245Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 3cob n GLU 1245Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 3cob n GLU 1245CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3cob n LEU 1246N 0.00 0.90 -4.58 4.31 4.77 -1.26 -4.72 117.00 116.42 3cob n LEU 1246Ca 0.00 0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 56.66 3cob n LEU 1246Cb 0.00 -1.19 -0.09 0.00 -2.33 0.00 0.00 43.42 39.81 3cob n LEU 1246CO 0.00 -2.49 -0.37 -1.61 -1.33 0.00 0.00 177.39 171.59 3cob s GLU 1247N -1.79 1.98 0.76 3.23 2.02 0.19 -4.92 118.70 120.17 3cob s GLU 1247Ca 0.64 -1.70 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 3cob s GLU 1247Cb -0.57 -1.91 0.05 0.00 0.10 0.00 0.00 34.13 31.80 3cob s GLU 1247CO 0.57 0.24 1.08 -1.21 0.02 0.00 0.00 175.26 175.96 3cob s GLU 1248N -3.64 2.38 -0.55 1.61 0.41 -1.26 -1.77 118.70 115.87 3cob s GLU 1248Ca 0.32 1.02 -0.21 0.00 -0.41 0.00 0.00 54.97 55.70 3cob s GLU 1248Cb -0.03 -1.92 0.06 0.00 -1.78 0.00 0.00 34.13 30.47 3cob s GLU 1248CO 0.18 -1.52 0.77 0.42 -0.49 0.00 0.00 175.26 174.63 3cob s ILE 1249N -2.97 4.65 0.44 -1.63 -1.09 -1.26 -4.70 121.20 114.64 3cob s ILE 1249Ca 0.60 -0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.57 3cob s ILE 1249Cb -0.16 -4.45 -0.06 0.00 -1.58 0.00 0.00 42.46 36.20 3cob s ILE 1249CO 0.56 -1.04 0.83 0.00 -1.23 0.00 0.00 174.94 174.06 3cob s GLN 1250N 3.22 3.80 -1.29 2.79 -2.07 -1.26 -4.74 119.66 120.11 3cob s GLN 1250Ca 0.20 0.58 -0.06 0.00 -1.82 0.00 0.00 55.36 54.26 3cob s GLN 1250Cb -0.18 -2.32 0.15 0.00 -1.09 0.00 0.00 33.01 29.58 3cob s GLN 1250CO 0.13 -0.12 2.24 -0.25 -1.32 0.00 0.00 175.29 175.96 3cob n ASP 1251N -1.48 7.49 0.00 12.60 8.00 -1.26 -4.84 116.55 137.06 3cob n ASP 1251Ca 0.03 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.34 3cob n ASP 1251Cb 0.54 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3cob n ASP 1251CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02